4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide

C32H32F4N4O4S — CID 158684392

IUPAC4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCC(OC2CCN(c3ccc(C4=Nc5cc(F)ccc5C4)cn3)CC2)CC1
InChIInChI=1S/C32H32F4N4O4S/c33-24-7-1-21-17-28(38-29(21)18-24)22-4-12-30(37-19-22)40-15-13-26(14-16-40)44-25-8-2-20(3-9-25)31(41)39-45(42,43)27-10-5-23(6-11-27)32(34,35)36/h1,4-7,10-12,18-20,25-26H,2-3,8-9,13-17H2,(H,39,41)
InChIKeyKSXDCPAYSHZLLG-UHFFFAOYSA-N
MW644.69 g/mol
LogP5.97
Rot. Bonds7

About 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide

4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide (PubChem CID 158684392) has the molecular formula C32H32F4N4O4S and a molecular weight of 644.69 g/mol. Its IUPAC name is 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide
PubChem CID158684392
Molecular FormulaC32H32F4N4O4S
Molecular Weight644.69 g/mol
Exact Mass644.21
IUPAC Name4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCC(OC2CCN(c3ccc(C4=Nc5cc(F)ccc5C4)cn3)CC2)CC1
InChIInChI=1S/C32H32F4N4O4S/c33-24-7-1-21-17-28(38-29(21)18-24)22-4-12-30(37-19-22)40-15-13-26(14-16-40)44-25-8-2-20(3-9-25)31(41)39-45(42,43)27-10-5-23(6-11-27)32(34,35)36/h1,4-7,10-12,18-20,25-26H,2-3,8-9,13-17H2,(H,39,41)
InChIKeyKSXDCPAYSHZLLG-UHFFFAOYSA-N
XLogP5.97
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.69
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide
CID 71110605
4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
CID 24956239
methane;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 162124039
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
CID 68860348
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 17424947
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46466116
N-cyclopropyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 46628428
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 46968579
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 16595998

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide (CID 158684392) is 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCC(OC2CCN(c3ccc(C4=Nc5cc(F)ccc5C4)cn3)CC2)CC1.
What is the InChIKey of 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide?
The InChIKey is KSXDCPAYSHZLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F4N4O4S/c33-24-7-1-21-17-28(38-29(21)18-24)22-4-12-30(37-19-22)40-15-13-26(14-16-40)44-25-8-2-20(3-9-25)31(41)39-45(42,43)27-10-5-23(6-11-27)32(34,35)36/h1,4-7,10-12,18-20,25-26H,2-3,8-9,13-17H2,(H,39,41).
What are the key properties of 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide?
4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide has a molecular weight of 644.69 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(6-fluoro-3H-indol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 158684392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).