2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C22H20ClN5O4S — CID 134393490

IUPAC2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C)CC3)n2)nc1Cl
InChIInChI=1S/C22H20ClN5O4S/c1-14-11-15(12-24)3-5-17(14)33(30,31)27-21(29)16-4-6-18(25-20(16)23)28-10-7-19(26-28)32-13-22(2)8-9-22/h3-7,10-11H,8-9,13H2,1-2H3,(H,27,29)
InChIKeyDCIROBCJJLWNBM-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.40
Rot. Bonds7

About 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134393490) has the molecular formula C22H20ClN5O4S and a molecular weight of 485.95 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134393490
Molecular FormulaC22H20ClN5O4S
Molecular Weight485.95 g/mol
Exact Mass485.09
IUPAC Name2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C)CC3)n2)nc1Cl
InChIInChI=1S/C22H20ClN5O4S/c1-14-11-15(12-24)3-5-17(14)33(30,31)27-21(29)16-4-6-18(25-20(16)23)28-10-7-19(26-28)32-13-22(2)8-9-22/h3-7,10-11H,8-9,13H2,1-2H3,(H,27,29)
InChIKeyDCIROBCJJLWNBM-UHFFFAOYSA-N
XLogP3.40
TPSA126.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide
CID 159366215
2-chloro-N-(2-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827
2-chloro-6-[3-(dispiro[2.0.24.13]heptan-7-ylmethoxy)pyrazol-1-yl]-N-(2-methylphenyl)sulfonylpyridine-3-carboxamide
CID 134393481
2-chloro-N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398850
2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide
CID 157397880
6-[3-(1-bicyclo[1.1.1]pentanylmethoxy)pyrazol-1-yl]-2-chloro-N-(5-methyl-1-methylidenepyrazol-1-ium-4-yl)sulfonylpyridine-3-carboxamide
CID 140877245
6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 155784147
2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]-3-methylpyrazol-4-yl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 157317215
N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166761948
2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoropropoxy)pyrazol-1-yl]pyridine-3-carboxamide
CID 134587318
2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(1S,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134599482
2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane
CID 157367834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134393490) is 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is Cc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C)CC3)n2)nc1Cl.
What is the InChIKey of 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is DCIROBCJJLWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O4S/c1-14-11-15(12-24)3-5-17(14)33(30,31)27-21(29)16-4-6-18(25-20(16)23)28-10-7-19(26-28)32-13-22(2)8-9-22/h3-7,10-11H,8-9,13H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134393490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).