5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C22H20N6O3 — CID 167973003

IUPAC5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C22H20N6O3/c1-12-9-16(25-18-17(12)21(30)27-22(31)26-18)20(29)24-14-6-4-5-13(10-14)19-23-11-15-7-2-3-8-28(15)19/h4-6,9-11H,2-3,7-8H2,1H3,(H,24,29)(H2,25,26,27,30,31)
InChIKeyFKBWAJPOTMEGEB-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.37
Rot. Bonds3

About 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 167973003) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID167973003
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C22H20N6O3/c1-12-9-16(25-18-17(12)21(30)27-22(31)26-18)20(29)24-14-6-4-5-13(10-14)19-23-11-15-7-2-3-8-28(15)19/h4-6,9-11H,2-3,7-8H2,1H3,(H,24,29)(H2,25,26,27,30,31)
InChIKeyFKBWAJPOTMEGEB-UHFFFAOYSA-N
XLogP2.37
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122091628
3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091625
2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091632
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
2,5-dimethyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiophene-3-carboxamide
CID 55382964
3,5-dichloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 18289911
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17418145
N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 136578744
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 91889110

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 167973003) is 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is FKBWAJPOTMEGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-12-9-16(25-18-17(12)21(30)27-22(31)26-18)20(29)24-14-6-4-5-13(10-14)19-23-11-15-7-2-3-8-28(15)19/h4-6,9-11H,2-3,7-8H2,1H3,(H,24,29)(H2,25,26,27,30,31).
What are the key properties of 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 167973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).