7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one

C19H21N7O2 — CID 155537053

IUPAC7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
SMILESCc1cc2nccn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
InChIInChI=1S/C19H21N7O2/c1-12-9-16-20-5-6-25(16)11-14(12)22-18-21-10-15-17(23-18)26(19(27)24(15)2)13-3-7-28-8-4-13/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyKNEMNCXYOJXMIS-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.18
Rot. Bonds3

About 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one

7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one (PubChem CID 155537053) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
PubChem CID155537053
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
SMILESCc1cc2nccn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
InChIInChI=1S/C19H21N7O2/c1-12-9-16-20-5-6-25(16)11-14(12)22-18-21-10-15-17(23-18)26(19(27)24(15)2)13-3-7-28-8-4-13/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyKNEMNCXYOJXMIS-UHFFFAOYSA-N
XLogP2.18
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

Azd-7648
CID 135151360
Gsk-3494245
CID 126571915
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
3-[7-(2-Hydroxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766427
4-Ethyl-N-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-yl)piperazine-1-carboxamide
CID 145994392
Piperazine carbamate/urea derivative 4
CID 89487751
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-phenylethyl]-7H-purin-8-one
CID 54754557
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
US10407446, Example 13
CID 135151301
DNA-PK-IN-8
CID 163409152

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one?
The IUPAC name of 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one (CID 155537053) is 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one.
What is the SMILES notation for 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one?
The canonical SMILES for 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one is Cc1cc2nccn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C.
What is the InChIKey of 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one?
The InChIKey is KNEMNCXYOJXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12-9-16-20-5-6-25(16)11-14(12)22-18-21-10-15-17(23-18)26(19(27)24(15)2)13-3-7-28-8-4-13/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one?
7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one has a molecular weight of 379.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one is sourced from PubChem (CID 155537053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).