N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C25H27F3N4O3S — CID 118712537

IUPACN-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1
InChIInChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
InChIKeyBDVPCTOORIYGTI-UHFFFAOYSA-N
MW520.58 g/mol
LogP4.42
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 118712537) has the molecular formula C25H27F3N4O3S and a molecular weight of 520.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID118712537
Molecular FormulaC25H27F3N4O3S
Molecular Weight520.58 g/mol
Exact Mass520.18
IUPAC NameN-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1
InChIInChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)
InChIKeyBDVPCTOORIYGTI-UHFFFAOYSA-N
XLogP4.42
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

ML380
CID 71737672
(4-(3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625636
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737617
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737618
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737648
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737677
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737681
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 71737709
1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71771058
N-butan-2-yl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712535
N-(2,2-dimethylpropyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712536
N-(cyclobutylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712538

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 118712537) is N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is BDVPCTOORIYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30).
What are the key properties of N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 520.58 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 118712537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).