6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H23N5O3 — CID 135862699

IUPAC6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5cccnc5)[nH]c(=O)c4C3)c(=O)c2cc1C
InChIInChI=1S/C24H23N5O3/c1-13-8-16-20(9-14(13)2)32-22(25)18(21(16)30)12-29-7-5-19-17(11-29)24(31)28-23(27-19)15-4-3-6-26-10-15/h3-4,6,8-10H,5,7,11-12,25H2,1-2H3,(H,27,28,31)
InChIKeyLAUBMARXJVWLBF-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.70
Rot. Bonds3

About 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862699) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862699
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5cccnc5)[nH]c(=O)c4C3)c(=O)c2cc1C
InChIInChI=1S/C24H23N5O3/c1-13-8-16-20(9-14(13)2)32-22(25)18(21(16)30)12-29-7-5-19-17(11-29)24(31)28-23(27-19)15-4-3-6-26-10-15/h3-4,6,8-10H,5,7,11-12,25H2,1-2H3,(H,27,28,31)
InChIKeyLAUBMARXJVWLBF-UHFFFAOYSA-N
XLogP2.70
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyridin-3-yl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916575
6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917335
6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579
6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755
6-[(2-amino-4-oxochromen-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862671
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-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917275
6-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917975
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
2-amino-6,7-dimethyl-3-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910426
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-[(6-nitro-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942149

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862699) is 6-[(2-amino-6,7-dimethyl-4-oxochromen-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-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc2oc(N)c(CN3CCc4nc(-c5cccnc5)[nH]c(=O)c4C3)c(=O)c2cc1C.
What is the InChIKey of 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LAUBMARXJVWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-13-8-16-20(9-14(13)2)32-22(25)18(21(16)30)12-29-7-5-19-17(11-29)24(31)28-23(27-19)15-4-3-6-26-10-15/h3-4,6,8-10H,5,7,11-12,25H2,1-2H3,(H,27,28,31).
What are the key properties of 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 429.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6,7-dimethyl-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).