N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H20F2N4O2 — CID 155557297

IUPACN-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(F)c(F)c3)c(C(=O)NC3CCCC3)n2c1
InChIInChI=1S/C21H20F2N4O2/c1-12-6-9-17-25-19(26-20(28)13-7-8-15(22)16(23)10-13)18(27(17)11-12)21(29)24-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,24,29)(H,26,28)
InChIKeyICHRUPVMNWGZQM-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.85
Rot. Bonds4

About N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155557297) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155557297
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(F)c(F)c3)c(C(=O)NC3CCCC3)n2c1
InChIInChI=1S/C21H20F2N4O2/c1-12-6-9-17-25-19(26-20(28)13-7-8-15(22)16(23)10-13)18(27(17)11-12)21(29)24-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,24,29)(H,26,28)
InChIKeyICHRUPVMNWGZQM-UHFFFAOYSA-N
XLogP3.85
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155557297) is N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(F)c(F)c3)c(C(=O)NC3CCCC3)n2c1.
What is the InChIKey of N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ICHRUPVMNWGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-12-6-9-17-25-19(26-20(28)13-7-8-15(22)16(23)10-13)18(27(17)11-12)21(29)24-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3,4-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155557297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).