Basic information
- CAS
216661-57-3- Standard SMILES
COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1- InChIKey
HBWLNACPIFKNIP-UHFFFAOYSA-N- Molecular formula
- C17H13N3OS
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.07793304
Overview
6-(4-methoxyphenyl)-3-(3-thiophenyl)pyrazolo[1,5-a]pyrimidine is a member of pyrimidines.
Names & identifiers
- Preferred name
- 6-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
- IUPAC
- 6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
- English name
- 6-(4-methoxyphenyl)-3-(3-thienyl)-Pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C17H13N3OS
- Molecular weight
- 307.37
Names & synonyms
216661-57-3KDR/Flk-1 Kinase Inhibitor IVVEGFR2 KINASE INHIBITOR IVpyrazolo[1,5-a]pyrimidine 3gVegf 2 kinase inhibitor IVVEGF Receptor 2 Kinase Inhibitor IVFHX0K077F6Pyrazolo[1,5-a]pyrimidine, 6-(4-methoxyphenyl)-3-(3-thienyl)-6-(4-methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidineUNII-FHX0K077F6CHEMBL924616-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
Show more names
6-(4-methoxyphenyl)-3-(3-thienyl)-Pyrazolo[1,5-a]pyrimidine
Pyrazolo(1,5-a)pyrimidine, 6-(4-methoxyphenyl)-3-(3-thienyl)-6-(4-methoxyphenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidineHMS3229O15BDBM5432GTPL6055orb3236496SCHEMBL3003967CHEBI:93078
Database identifiers
- CAS
216661-57-3- PubChem CID
- 5329468
- DTXSID
DTXSID90416191
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.01 · 0.01±0.30(Predicted)
- FDA UNII
- 0 K077F6 · FHX0K077F6
Chemistry & industry
Suppliers1 total
Aladdin Scientific[email protected]
Additional notes
DefinitionChEBI: 6-(4-methoxyphenyl)-3-(3-thiophenyl)pyrazolo[1,5-a]pyrimidine is a member of pyrimidines.
Related reactions
1 records
Compound notes
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