4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide

C20H20FN7O2 — CID 54766889

IUPAC4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C20H20FN7O2/c1-22-19(29)11-2-5-13(6-3-11)28-18-14(25-20(28)30)8-24-17(26-18)15-9-23-16-7-4-12(21)10-27(15)16/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,29)(H,25,30)
InChIKeyGXQQRANWZPDYKP-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.05
Rot. Bonds3

About 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide

4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 54766889) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID54766889
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C20H20FN7O2/c1-22-19(29)11-2-5-13(6-3-11)28-18-14(25-20(28)30)8-24-17(26-18)15-9-23-16-7-4-12(21)10-27(15)16/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,29)(H,25,30)
InChIKeyGXQQRANWZPDYKP-UHFFFAOYSA-N
XLogP2.05
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide 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 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide (CID 54766889) is 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1.
What is the InChIKey of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GXQQRANWZPDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-22-19(29)11-2-5-13(6-3-11)28-18-14(25-20(28)30)8-24-17(26-18)15-9-23-16-7-4-12(21)10-27(15)16/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,29)(H,25,30).
What are the key properties of 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide?
4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 54766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).