(2,4-Di(4-pyridinyl)-5H-pyrimido(5,4-b)indol-5-yl)methyl methyl ether
Basic information
- CAS
40899-96-5- Standard SMILES
COCn1c2ccccc2c2nc(-c3ccncc3)nc(-c3ccncc3)c21- InChIKey
RGXJALGKBZWWMQ-UHFFFAOYSA-N- Molecular formula
- C22H17N5O
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.14331018
Names & identifiers
- Preferred name
- (2,4-Di(4-pyridinyl)-5H-pyrimido(5,4-b)indol-5-yl)methyl methyl ether
- IUPAC
- 5-(methoxymethyl)-2,4-dipyridin-4-ylpyrimido[5,4-b]indole
Names & synonyms
40899-96-5S9C5VH0WKA(2,4-Di(4-pyridinyl)-5H-pyrimido(5,4-b)indol-5-yl)methyl methyl etherUNII-S9C5VH0WKANSC 177969NSC-177969DTXSID901938995H-PYRIMIDO(5,4-B)INDOLE, 5-(METHOXYMETHYL)-2,4-DI-4-PYRIDINYL-(2,4-Di(4-pyridinyl)-5H-pyrimido[5,4-b]indol-5-yl)methyl methyl etherRefChem:68520DTXCID80116390NSC177969
Show more names
5-(Methoxymethyl)-2,4-di(pyridin-4-yl)-5H-pyrimido[5,4-b]indole5-(methoxymethyl)-2,4-bis(4-pyridyl)pyrimido[5,4-b]indole5-(Methoxymethyl)-2,4-di(4-pyridinyl)-5H-pyrimido[5,4-b]indole
Database identifiers
- CAS
40899-96-5- PubChem CID
- 425964
- DTXSID
DTXSID90193899- UNII
- S9C5VH0WKA
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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