2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one

C19H19FN6O2 — CID 56591428

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one
SMILESCC1(O)CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C19H19FN6O2/c1-19(28)6-4-12(5-7-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-3-2-11(20)10-25(14)15/h2-3,8-10,12,28H,4-7H2,1H3,(H,23,27)
InChIKeyYNRDKRQTLMFUKL-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.44
Rot. Bonds2

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one (PubChem CID 56591428) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one
PubChem CID56591428
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one
SMILESCC1(O)CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C19H19FN6O2/c1-19(28)6-4-12(5-7-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-3-2-11(20)10-25(14)15/h2-3,8-10,12,28H,4-7H2,1H3,(H,23,27)
InChIKeyYNRDKRQTLMFUKL-UHFFFAOYSA-N
XLogP2.44
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one (CID 56591428) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one is CC1(O)CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one?
The InChIKey is YNRDKRQTLMFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-19(28)6-4-12(5-7-19)26-17-13(23-18(26)27)8-22-16(24-17)14-9-21-15-3-2-11(20)10-25(14)15/h2-3,8-10,12,28H,4-7H2,1H3,(H,23,27).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one has a molecular weight of 382.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(4-hydroxy-4-methylcyclohexyl)-7H-purin-8-one is sourced from PubChem (CID 56591428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).