N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H32F2N4O2 — CID 140651913

IUPACN-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CC(F)CCC2F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H32F2N4O2/c25-19-5-6-21(26)20(15-19)24(32)29-12-8-17(9-13-29)3-1-2-10-28-23(31)18-4-7-22-27-11-14-30(22)16-18/h4,7,11,14,16-17,19-21H,1-3,5-6,8-10,12-13,15H2,(H,28,31)
InChIKeyGRJADVDKIPHAGE-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.95
Rot. Bonds7

About N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 140651913) has the molecular formula C24H32F2N4O2 and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID140651913
Molecular FormulaC24H32F2N4O2
Molecular Weight446.54 g/mol
Exact Mass446.25
IUPAC NameN-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CC(F)CCC2F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H32F2N4O2/c25-19-5-6-21(26)20(15-19)24(32)29-12-8-17(9-13-29)3-1-2-10-28-23(31)18-4-7-22-27-11-14-30(22)16-18/h4,7,11,14,16-17,19-21H,1-3,5-6,8-10,12-13,15H2,(H,28,31)
InChIKeyGRJADVDKIPHAGE-UHFFFAOYSA-N
XLogP3.95
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140652040
N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651910
N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381452
N-[4-[1-(4-methyl-1,3-thiazolidine-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381281
N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 129142501
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983749
N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983545
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 140651913) is N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CC(F)CCC2F)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GRJADVDKIPHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O2/c25-19-5-6-21(26)20(15-19)24(32)29-12-8-17(9-13-29)3-1-2-10-28-23(31)18-4-7-22-27-11-14-30(22)16-18/h4,7,11,14,16-17,19-21H,1-3,5-6,8-10,12-13,15H2,(H,28,31).
What are the key properties of N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 140651913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).