N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide

C24H24F3N5O5 — CID 134278248

IUPACN-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3OC(F)(F)F)[C@H](n3cccn3)C2)cnc1OC
InChIInChI=1S/C24H24F3N5O5/c1-35-20-12-15(13-28-22(20)36-2)23(34)31-11-8-17(18(14-31)32-10-5-9-29-32)30-21(33)16-6-3-4-7-19(16)37-24(25,26)27/h3-7,9-10,12-13,17-18H,8,11,14H2,1-2H3,(H,30,33)/t17-,18-/m1/s1
InChIKeyXMVIDPQMNFDCLU-QZTJIDSGSA-N
MW519.48 g/mol
LogP3.08
Rot. Bonds7

About N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide

N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 134278248) has the molecular formula C24H24F3N5O5 and a molecular weight of 519.48 g/mol. Its IUPAC name is N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
PubChem CID134278248
Molecular FormulaC24H24F3N5O5
Molecular Weight519.48 g/mol
Exact Mass519.17
IUPAC NameN-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3OC(F)(F)F)[C@H](n3cccn3)C2)cnc1OC
InChIInChI=1S/C24H24F3N5O5/c1-35-20-12-15(13-28-22(20)36-2)23(34)31-11-8-17(18(14-31)32-10-5-9-29-32)30-21(33)16-6-3-4-7-19(16)37-24(25,26)27/h3-7,9-10,12-13,17-18H,8,11,14H2,1-2H3,(H,30,33)/t17-,18-/m1/s1
InChIKeyXMVIDPQMNFDCLU-QZTJIDSGSA-N
XLogP3.08
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,4R)-1-(5-cyano-6-methoxypyridine-3-carbonyl)-3-methylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 149424322
2-(difluoromethoxy)-N-[(3S,4S)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperidin-4-yl]benzamide
CID 134278768
2-chloro-N-[(3S,4R)-1-(5-chloro-6-methoxypyridine-3-carbonyl)-3-phenylpiperidin-4-yl]benzamide
CID 134279035
N-[(3S,4R)-1-(2,3-dihydro-1H-benzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 135135274
N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278656
N-[(3S,4R)-1-(1H-indazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278691
N-[(3S,4R)-1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278157
3-methoxy-2-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 99841643
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-(4-fluorophenyl)piperidin-4-yl]benzamide
CID 134278213
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide (CID 134278248) is N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3OC(F)(F)F)[C@H](n3cccn3)C2)cnc1OC.
What is the InChIKey of N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is XMVIDPQMNFDCLU-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H24F3N5O5/c1-35-20-12-15(13-28-22(20)36-2)23(34)31-11-8-17(18(14-31)32-10-5-9-29-32)30-21(33)16-6-3-4-7-19(16)37-24(25,26)27/h3-7,9-10,12-13,17-18H,8,11,14H2,1-2H3,(H,30,33)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide?
N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 519.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-pyrazol-1-ylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 134278248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).