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

C25H35ClN4O3 — CID 140651910

IUPACN-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CC(Cl)CCC1C(=O)N1CCC(CCCCNC(=O)c2ccc3nccn3c2)CC1
InChIInChI=1S/C25H35ClN4O3/c1-33-22-16-20(26)6-7-21(22)25(32)29-13-9-18(10-14-29)4-2-3-11-28-24(31)19-5-8-23-27-12-15-30(23)17-19/h5,8,12,15,17-18,20-22H,2-4,6-7,9-11,13-14,16H2,1H3,(H,28,31)
InChIKeyHFGZTNVQIOXKHO-UHFFFAOYSA-N
MW475.03 g/mol
LogP3.90
Rot. Bonds8

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

N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 140651910) has the molecular formula C25H35ClN4O3 and a molecular weight of 475.03 g/mol. Its IUPAC name is N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID140651910
Molecular FormulaC25H35ClN4O3
Molecular Weight475.03 g/mol
Exact Mass474.24
IUPAC NameN-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOC1CC(Cl)CCC1C(=O)N1CCC(CCCCNC(=O)c2ccc3nccn3c2)CC1
InChIInChI=1S/C25H35ClN4O3/c1-33-22-16-20(26)6-7-21(22)25(32)29-13-9-18(10-14-29)4-2-3-11-28-24(31)19-5-8-23-27-12-15-30(23)17-19/h5,8,12,15,17-18,20-22H,2-4,6-7,9-11,13-14,16H2,1H3,(H,28,31)
InChIKeyHFGZTNVQIOXKHO-UHFFFAOYSA-N
XLogP3.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.03
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651913
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-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983545
N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 129142501
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-(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-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 126774062

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 140651910) is N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is COC1CC(Cl)CCC1C(=O)N1CCC(CCCCNC(=O)c2ccc3nccn3c2)CC1.
What is the InChIKey of N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HFGZTNVQIOXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O3/c1-33-22-16-20(26)6-7-21(22)25(32)29-13-9-18(10-14-29)4-2-3-11-28-24(31)19-5-8-23-27-12-15-30(23)17-19/h5,8,12,15,17-18,20-22H,2-4,6-7,9-11,13-14,16H2,1H3,(H,28,31).
What are the key properties of N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 475.03 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 140651910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).