1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one

C21H19N9O — CID 118216646

IUPAC1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one
SMILESCn1cc(Nc2nccc(-c3ccn4c(Cc5ccc(=O)n(C)c5)nnc4c3)n2)cn1
InChIInChI=1S/C21H19N9O/c1-28-12-14(3-4-20(28)31)9-18-26-27-19-10-15(6-8-30(18)19)17-5-7-22-21(25-17)24-16-11-23-29(2)13-16/h3-8,10-13H,9H2,1-2H3,(H,22,24,25)
InChIKeyNFOGVCOWVCTNON-UHFFFAOYSA-N
MW413.45 g/mol
LogP1.95
Rot. Bonds5

About 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one

1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one (PubChem CID 118216646) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one
PubChem CID118216646
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one
SMILESCn1cc(Nc2nccc(-c3ccn4c(Cc5ccc(=O)n(C)c5)nnc4c3)n2)cn1
InChIInChI=1S/C21H19N9O/c1-28-12-14(3-4-20(28)31)9-18-26-27-19-10-15(6-8-30(18)19)17-5-7-22-21(25-17)24-16-11-23-29(2)13-16/h3-8,10-13H,9H2,1-2H3,(H,22,24,25)
InChIKeyNFOGVCOWVCTNON-UHFFFAOYSA-N
XLogP1.95
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one (CID 118216646) is 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one is Cn1cc(Nc2nccc(-c3ccn4c(Cc5ccc(=O)n(C)c5)nnc4c3)n2)cn1.
What is the InChIKey of 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one?
The InChIKey is NFOGVCOWVCTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c1-28-12-14(3-4-20(28)31)9-18-26-27-19-10-15(6-8-30(18)19)17-5-7-22-21(25-17)24-16-11-23-29(2)13-16/h3-8,10-13H,9H2,1-2H3,(H,22,24,25).
What are the key properties of 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one?
1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one has a molecular weight of 413.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridin-2-one is sourced from PubChem (CID 118216646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).