N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide

C24H28FN5O3S — CID 58292173

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3cnn(C)c3)nc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O3S/c1-16(17-3-7-20(25)8-4-17)28-24(31)18-5-9-21(10-6-18)29-34(32,33)22-11-12-23(26-14-22)19-13-27-30(2)15-19/h3-4,7-8,11-16,18,21,29H,5-6,9-10H2,1-2H3,(H,28,31)/t16-,18?,21?/m1/s1
InChIKeyJRVPNWZOLZMOAN-SRWJYRBRSA-N
MW485.59 g/mol
LogP3.34
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 58292173) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide
PubChem CID58292173
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3cnn(C)c3)nc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O3S/c1-16(17-3-7-20(25)8-4-17)28-24(31)18-5-9-21(10-6-18)29-34(32,33)22-11-12-23(26-14-22)19-13-27-30(2)15-19/h3-4,7-8,11-16,18,21,29H,5-6,9-10H2,1-2H3,(H,28,31)/t16-,18?,21?/m1/s1
InChIKeyJRVPNWZOLZMOAN-SRWJYRBRSA-N
XLogP3.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2S)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76072411
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
trans-(1S,2S)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76071764
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]amino]pyridine-3-sulfonamide
CID 44345708
trans-(1R,2R)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 73890932
trans-(1R,2R)-N-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76311093
trans-(1R,2R)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76321979
trans-(1R,2R)-N-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76329161
trans-(1R,2R)-2-pyridin-3-yl-N-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 76332824

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide (CID 58292173) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3cnn(C)c3)nc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is JRVPNWZOLZMOAN-SRWJYRBRSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-16(17-3-7-20(25)8-4-17)28-24(31)18-5-9-21(10-6-18)29-34(32,33)22-11-12-23(26-14-22)19-13-27-30(2)15-19/h3-4,7-8,11-16,18,21,29H,5-6,9-10H2,1-2H3,(H,28,31)/t16-,18?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58292173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).