N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide

C23H27F3N6O3 — CID 163426258

IUPACN-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C(F)(F)F)c(C)nn3C)[C@@H](C)C2)cc2c1ncn2C
InChIInChI=1S/C23H27F3N6O3/c1-12-10-32(22(34)14-8-16-19(17(9-14)35-5)27-11-30(16)3)7-6-15(12)28-21(33)20-18(23(24,25)26)13(2)29-31(20)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,28,33)/t12-,15+/m0/s1
InChIKeyAMUBRHOSQMAHKE-SWLSCSKDSA-N
MW492.50 g/mol
LogP2.92
Rot. Bonds4

About N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide

N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 163426258) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID163426258
Molecular FormulaC23H27F3N6O3
Molecular Weight492.50 g/mol
Exact Mass492.21
IUPAC NameN-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C(F)(F)F)c(C)nn3C)[C@@H](C)C2)cc2c1ncn2C
InChIInChI=1S/C23H27F3N6O3/c1-12-10-32(22(34)14-8-16-19(17(9-14)35-5)27-11-30(16)3)7-6-15(12)28-21(33)20-18(23(24,25)26)13(2)29-31(20)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,28,33)/t12-,15+/m0/s1
InChIKeyAMUBRHOSQMAHKE-SWLSCSKDSA-N
XLogP2.92
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-1-(5-cyano-6-methoxypyridine-3-carbonyl)-3-methylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 149424322
N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134278487
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 134278581
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278367
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114498148
3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
CID 91835978
tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
CID 95775135
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-cyclohexa-2,4-dien-1-ylpiperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 135135593
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155825579
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 163426258) is N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C(F)(F)F)c(C)nn3C)[C@@H](C)C2)cc2c1ncn2C.
What is the InChIKey of N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is AMUBRHOSQMAHKE-SWLSCSKDSA-N. The full InChI is InChI=1S/C23H27F3N6O3/c1-12-10-32(22(34)14-8-16-19(17(9-14)35-5)27-11-30(16)3)7-6-15(12)28-21(33)20-18(23(24,25)26)13(2)29-31(20)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,28,33)/t12-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(7-methoxy-3-methylbenzimidazole-5-carbonyl)-3-methylpiperidin-4-yl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 163426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).