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

C25H27F3N4O3 — CID 70983749

IUPACN-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)35-21-7-2-1-6-20(21)24(34)31-14-10-18(11-15-31)5-3-4-12-30-23(33)19-8-9-22-29-13-16-32(22)17-19/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,30,33)
InChIKeyFKVVJRQORGVHKN-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.69
Rot. Bonds8

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

N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70983749) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70983749
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)35-21-7-2-1-6-20(21)24(34)31-14-10-18(11-15-31)5-3-4-12-30-23(33)19-8-9-22-29-13-16-32(22)17-19/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,30,33)
InChIKeyFKVVJRQORGVHKN-UHFFFAOYSA-N
XLogP4.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 129142501
N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983545
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-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651910
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-methyl-1,3-thiazolidine-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381281
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 70983749) is N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FKVVJRQORGVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c26-25(27,28)35-21-7-2-1-6-20(21)24(34)31-14-10-18(11-15-31)5-3-4-12-30-23(33)19-8-9-22-29-13-16-32(22)17-19/h1-2,6-9,13,16-18H,3-5,10-12,14-15H2,(H,30,33).
What are the key properties of N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70983749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).