N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C24H25F3N4O3S — CID 71737786

IUPACN-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C24H25F3N4O3S/c25-24(26,27)21-4-2-1-3-18(21)15-31(19-6-7-19)23(32)16-9-11-30(12-10-16)35(33,34)20-8-5-17-14-28-29-22(17)13-20/h1-5,8,13-14,16,19H,6-7,9-12,15H2,(H,28,29)
InChIKeyYTPVCKPXCICXJD-UHFFFAOYSA-N
MW506.55 g/mol
LogP4.17
Rot. Bonds6

About N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71737786) has the molecular formula C24H25F3N4O3S and a molecular weight of 506.55 g/mol. Its IUPAC name is N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71737786
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.55 g/mol
Exact Mass506.16
IUPAC NameN-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C24H25F3N4O3S/c25-24(26,27)21-4-2-1-3-18(21)15-31(19-6-7-19)23(32)16-9-11-30(12-10-16)35(33,34)20-8-5-17-14-28-29-22(17)13-20/h1-5,8,13-14,16,19H,6-7,9-12,15H2,(H,28,29)
InChIKeyYTPVCKPXCICXJD-UHFFFAOYSA-N
XLogP4.17
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71737786) is N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YTPVCKPXCICXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S/c25-24(26,27)21-4-2-1-3-18(21)15-31(19-6-7-19)23(32)16-9-11-30(12-10-16)35(33,34)20-8-5-17-14-28-29-22(17)13-20/h1-5,8,13-14,16,19H,6-7,9-12,15H2,(H,28,29).
What are the key properties of N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 506.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).