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

C24H23N5O2 — CID 24910426

IUPAC2-amino-6,7-dimethyl-3-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5ccncc5)ncc4C3)c(=O)c2cc1C
InChIInChI=1S/C24H23N5O2/c1-14-9-18-21(10-15(14)2)31-23(25)19(22(18)30)13-29-8-5-20-17(12-29)11-27-24(28-20)16-3-6-26-7-4-16/h3-4,6-7,9-11H,5,8,12-13,25H2,1-2H3
InChIKeyGTZMIALBIUAQRN-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.40
Rot. Bonds3

About 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

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 (PubChem CID 24910426) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-3-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
PubChem CID24910426
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-amino-6,7-dimethyl-3-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
SMILESCc1cc2oc(N)c(CN3CCc4nc(-c5ccncc5)ncc4C3)c(=O)c2cc1C
InChIInChI=1S/C24H23N5O2/c1-14-9-18-21(10-15(14)2)31-23(25)19(22(18)30)13-29-8-5-20-17(12-29)11-27-24(28-20)16-3-6-26-7-4-16/h3-4,6-7,9-11H,5,8,12-13,25H2,1-2H3
InChIKeyGTZMIALBIUAQRN-UHFFFAOYSA-N
XLogP3.40
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-amino-6,7-dimethyl-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910432
2-amino-6,7-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910435
2-amino-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910411
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
2-amino-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24910417
2-amino-6-chloro-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24909976
2-amino-3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910410
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513
6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909085
2-amino-6-chloro-3-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24909956
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2oc(N)c(CN3CCc4nc(-c5ccncc5)ncc4C3)c(=O)c2cc1C.
What is the InChIKey of 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?
The InChIKey is GTZMIALBIUAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-9-18-21(10-15(14)2)31-23(25)19(22(18)30)13-29-8-5-20-17(12-29)11-27-24(28-20)16-3-6-26-7-4-16/h3-4,6-7,9-11H,5,8,12-13,25H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 413.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24910426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).