N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C21H20F2N4O2 — CID 155561217

IUPACN-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C21H20F2N4O2/c22-13-9-10-16(23)15(12-13)20(28)26-19-18(27-11-5-4-8-17(27)25-19)21(29)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,29)(H,26,28)
InChIKeyFFYKMLVCZONUJM-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.93
Rot. Bonds4

About N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155561217) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155561217
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C21H20F2N4O2/c22-13-9-10-16(23)15(12-13)20(28)26-19-18(27-11-5-4-8-17(27)25-19)21(29)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,29)(H,26,28)
InChIKeyFFYKMLVCZONUJM-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155561217) is N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FFYKMLVCZONUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-13-9-10-16(23)15(12-13)20(28)26-19-18(27-11-5-4-8-17(27)25-19)21(29)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,29)(H,26,28).
What are the key properties of N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,5-difluorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155561217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).