N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C27H27F3N6O2 — CID 171681600

IUPACN-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cn5c(C(F)(F)F)cccc5n4)cc3)CC2)n[nH]1
InChIInChI=1S/C27H27F3N6O2/c1-16(2)20-14-21(34-33-20)26(38)35-12-10-18(11-13-35)17-6-8-19(9-7-17)31-25(37)22-15-36-23(27(28,29)30)4-3-5-24(36)32-22/h3-9,14-16,18H,10-13H2,1-2H3,(H,31,37)(H,33,34)
InChIKeyKBNWNHDDDHPZQH-UHFFFAOYSA-N
MW524.55 g/mol
LogP5.47
Rot. Bonds5

About N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171681600) has the molecular formula C27H27F3N6O2 and a molecular weight of 524.55 g/mol. Its IUPAC name is N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171681600
Molecular FormulaC27H27F3N6O2
Molecular Weight524.55 g/mol
Exact Mass524.21
IUPAC NameN-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cn5c(C(F)(F)F)cccc5n4)cc3)CC2)n[nH]1
InChIInChI=1S/C27H27F3N6O2/c1-16(2)20-14-21(34-33-20)26(38)35-12-10-18(11-13-35)17-6-8-19(9-7-17)31-25(37)22-15-36-23(27(28,29)30)4-3-5-24(36)32-22/h3-9,14-16,18H,10-13H2,1-2H3,(H,31,37)(H,33,34)
InChIKeyKBNWNHDDDHPZQH-UHFFFAOYSA-N
XLogP5.47
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92599666
N-phenyl-5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50958777
N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 171681380
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
N-[[9-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 171685062
(3-fluorophenyl)-[4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 60506705
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212
1-methyl-N-[4-[1-(7-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171698401
3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171683075
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 171678139
N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 51090844

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171681600) is N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CC(C)c1cc(C(=O)N2CCC(c3ccc(NC(=O)c4cn5c(C(F)(F)F)cccc5n4)cc3)CC2)n[nH]1.
What is the InChIKey of N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KBNWNHDDDHPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2/c1-16(2)20-14-21(34-33-20)26(38)35-12-10-18(11-13-35)17-6-8-19(9-7-17)31-25(37)22-15-36-23(27(28,29)30)4-3-5-24(36)32-22/h3-9,14-16,18H,10-13H2,1-2H3,(H,31,37)(H,33,34).
What are the key properties of N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 524.55 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]phenyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171681600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).