N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H21FN4O2 — CID 155542883

IUPACN-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCC3)n2c1
InChIInChI=1S/C21H21FN4O2/c1-13-9-10-17-24-19(25-20(27)14-5-4-6-15(22)11-14)18(26(17)12-13)21(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,23,28)(H,25,27)
InChIKeyJKULXYWEPLBIOX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.71
Rot. Bonds4

About N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155542883) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155542883
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCC3)n2c1
InChIInChI=1S/C21H21FN4O2/c1-13-9-10-17-24-19(25-20(27)14-5-4-6-15(22)11-14)18(26(17)12-13)21(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,23,28)(H,25,27)
InChIKeyJKULXYWEPLBIOX-UHFFFAOYSA-N
XLogP3.71
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155542883) is N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCC3)n2c1.
What is the InChIKey of N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JKULXYWEPLBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13-9-10-17-24-19(25-20(27)14-5-4-6-15(22)11-14)18(26(17)12-13)21(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155542883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).