2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide

C20H18ClFN4O2 — CID 155553240

IUPAC2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1cccc(Cl)c1F
InChIInChI=1S/C20H18ClFN4O2/c21-14-9-5-8-13(16(14)22)19(27)25-18-17(20(28)23-12-6-1-2-7-12)26-11-4-3-10-15(26)24-18/h3-5,8-12H,1-2,6-7H2,(H,23,28)(H,25,27)
InChIKeyHIPCULREZCDOGG-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.05
Rot. Bonds4

About 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide

2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155553240) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155553240
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1cccc(Cl)c1F
InChIInChI=1S/C20H18ClFN4O2/c21-14-9-5-8-13(16(14)22)19(27)25-18-17(20(28)23-12-6-1-2-7-12)26-11-4-3-10-15(26)24-18/h3-5,8-12H,1-2,6-7H2,(H,23,28)(H,25,27)
InChIKeyHIPCULREZCDOGG-UHFFFAOYSA-N
XLogP4.05
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide (CID 155553240) is 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HIPCULREZCDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-14-9-5-8-13(16(14)22)19(27)25-18-17(20(28)23-12-6-1-2-7-12)26-11-4-3-10-15(26)24-18/h3-5,8-12H,1-2,6-7H2,(H,23,28)(H,25,27).
What are the key properties of 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide?
2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorobenzoyl)amino]-N-cyclopentylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155553240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).