Basic information
- CAS
185961-99-3- Standard SMILES
O=c1[nH]c2ncccc2n1C1CCNCC1- InChIKey
NNTFPLKBXGDCPG-UHFFFAOYSA-N- Molecular formula
- C11H14N4O
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.11676107
Names & identifiers
- Preferred name
- Bms-973013
- IUPAC
- 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
- English name
- 1-(piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
- Molecular formula
- C11H14N4O
- Molecular weight
- 218.26
Names & synonyms
185961-99-3RSF73ZBU2E1-Piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-oneUNII-RSF73ZBU2EBMS-9730131-Piperidin-4-yl-3H-imidazo(4,5-b)pyridin-2-one1-(Piperidin-4-yl)-1H,2H,3H-imidazo(4,5-b)pyridin-2-one1,3-Dihydro-1-(4-piperidinyl)-2H-imidazo(4,5-b)pyridin-2-one2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1-(4-piperidinyl1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-oneRefChem:1999441-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
Show more names
Rimegepant Impurity 591-(4-piperidyl)-3H-imidazo[4,5-b]pyridin-2-one1-Piperidin-4-yl-1,3-dihydro-iMidazo[4,5-b]pyridin-2-one1,3-dihydro-1-(4-piperidinyl)-2h-imidazo[4,5-b]pyridin-2-one
MFCD110432521-(Piperidin-4-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one2H-Imidazo[4,5-b]pyridin-2-one, 1,3-dihydro-1-(4-piperidinyl)-1-(4-Piperidyl)imidazo[4,5-b]pyridin-2(3H)-oneSCHEMBL828953SCHEMBL3551195CHEMBL3554024SCHEMBL30608211
Database identifiers
- CAS
185961-99-3- PubChem CID
- 22293182
- DTXSID
DTXSID40624481- ChEMBL
CHEMBL3554024- UNII
- RSF73ZBU2E
- Nikkaji
- J2.903.739F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- FDA UNII
- 73 ZBU2E · RSF73ZBU2E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Related reactions
74 records
Compound notes
Loading…