6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H21N5O — CID 135946543

IUPAC6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)c2ccccn12
InChIInChI=1S/C22H21N5O/c1-15-23-19(20-9-5-6-11-27(15)20)14-26-12-10-18-17(13-26)22(28)25-21(24-18)16-7-3-2-4-8-16/h2-9,11H,10,12-14H2,1H3,(H,24,25,28)
InChIKeyBFECOVXMZIODNE-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.95
Rot. Bonds3

About 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946543) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946543
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)c2ccccn12
InChIInChI=1S/C22H21N5O/c1-15-23-19(20-9-5-6-11-27(15)20)14-26-12-10-18-17(13-26)22(28)25-21(24-18)16-7-3-2-4-8-16/h2-9,11H,10,12-14H2,1H3,(H,24,25,28)
InChIKeyBFECOVXMZIODNE-UHFFFAOYSA-N
XLogP2.95
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946541
2-cyclopropyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946552
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944103
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915169
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943827
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862395
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(2-chloro-6-methylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917611
6-[(3-tert-butyl-2-hydroxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919188
2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946083

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946543) is 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)c2ccccn12.
What is the InChIKey of 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BFECOVXMZIODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-23-19(20-9-5-6-11-27(15)20)14-26-12-10-18-17(13-26)22(28)25-21(24-18)16-7-3-2-4-8-16/h2-9,11H,10,12-14H2,1H3,(H,24,25,28).
What are the key properties of 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).