1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

C21H22FN7O3S — CID 175679502

IUPAC1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC[C@@H](F)C3)ccn2)c1
InChIInChI=1S/C21H22FN7O3S/c1-27-21-14(10-24-27)3-4-18(32-2)20(21)26-33(30,31)17-11-25-29(13-17)19-9-16(5-7-23-19)28-8-6-15(22)12-28/h3-5,7,9-11,13,15,26H,6,8,12H2,1-2H3/t15-/m1/s1
InChIKeyCTJHRZKEJXPTIY-OAHLLOKOSA-N
MW471.52 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 175679502) has the molecular formula C21H22FN7O3S and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID175679502
Molecular FormulaC21H22FN7O3S
Molecular Weight471.52 g/mol
Exact Mass471.15
IUPAC Name1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC[C@@H](F)C3)ccn2)c1
InChIInChI=1S/C21H22FN7O3S/c1-27-21-14(10-24-27)3-4-18(32-2)20(21)26-33(30,31)17-11-25-29(13-17)19-9-16(5-7-23-19)28-8-6-15(22)12-28/h3-5,7,9-11,13,15,26H,6,8,12H2,1-2H3/t15-/m1/s1
InChIKeyCTJHRZKEJXPTIY-OAHLLOKOSA-N
XLogP2.51
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394
1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
CID 171918766
1-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate
CID 170969296
1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174207428
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 175679502) is 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC[C@@H](F)C3)ccn2)c1.
What is the InChIKey of 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is CTJHRZKEJXPTIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FN7O3S/c1-27-21-14(10-24-27)3-4-18(32-2)20(21)26-33(30,31)17-11-25-29(13-17)19-9-16(5-7-23-19)28-8-6-15(22)12-28/h3-5,7,9-11,13,15,26H,6,8,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 471.52 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 175679502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).