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

C21H20N6O — CID 135943827

IUPAC6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccccn2c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H20N6O/c1-14-18(27-9-3-2-6-19(27)23-14)13-26-10-7-17-16(12-26)21(28)25-20(24-17)15-5-4-8-22-11-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,24,25,28)
InChIKeyXBPOFTQZZJXVJW-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.35
Rot. Bonds3

About 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

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 (PubChem CID 135943827) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943827
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccccn2c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H20N6O/c1-14-18(27-9-3-2-6-19(27)23-14)13-26-10-7-17-16(12-26)21(28)25-20(24-17)15-5-4-8-22-11-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,24,25,28)
InChIKeyXBPOFTQZZJXVJW-UHFFFAOYSA-N
XLogP2.35
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943527
6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912317
6-[(2-bromophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917395
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707232
6-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917975
6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946051
6-[(2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944567
6-[(5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947340
6-[(7-methyl-1H-indol-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861679
6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccccn2c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1.
What is the InChIKey of 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?
The InChIKey is XBPOFTQZZJXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-18(27-9-3-2-6-19(27)23-14)13-26-10-7-17-16(12-26)21(28)25-20(24-17)15-5-4-8-22-11-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 372.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135943827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).