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

C21H21F2N7O3S — CID 170969394

IUPAC1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(F)(F)C3)ccn2)c1
InChIInChI=1S/C21H21F2N7O3S/c1-28-20-14(10-25-28)3-4-17(33-2)19(20)27-34(31,32)16-11-26-30(12-16)18-9-15(5-7-24-18)29-8-6-21(22,23)13-29/h3-5,7,9-12,27H,6,8,13H2,1-2H3
InChIKeyVYPQBPHDYGSDTN-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.81
Rot. Bonds6

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

1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170969394) has the molecular formula C21H21F2N7O3S and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170969394
Molecular FormulaC21H21F2N7O3S
Molecular Weight489.51 g/mol
Exact Mass489.14
IUPAC Name1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(F)(F)C3)ccn2)c1
InChIInChI=1S/C21H21F2N7O3S/c1-28-20-14(10-25-28)3-4-17(33-2)19(20)27-34(31,32)16-11-26-30(12-16)18-9-15(5-7-24-18)29-8-6-21(22,23)13-29/h3-5,7,9-12,27H,6,8,13H2,1-2H3
InChIKeyVYPQBPHDYGSDTN-UHFFFAOYSA-N
XLogP2.81
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
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-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
6-(4-chloropyrazol-1-yl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965058
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
6-[4-(1-hydroxyethyl)pyrazol-1-yl]-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170964825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170969394) is 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(F)(F)C3)ccn2)c1.
What is the InChIKey of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is VYPQBPHDYGSDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O3S/c1-28-20-14(10-25-28)3-4-17(33-2)19(20)27-34(31,32)16-11-26-30(12-16)18-9-15(5-7-24-18)29-8-6-21(22,23)13-29/h3-5,7,9-12,27H,6,8,13H2,1-2H3.
What are the key properties of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 489.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170969394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).