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

C19H21N7O2 — CID 155537053

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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