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

C28H27FN6O4S — CID 174207428

IUPAC1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C3(F)CC(OCc4ccccc4)C3)ccn2)c1
InChIInChI=1S/C28H27FN6O4S/c1-34-27-20(15-31-34)8-9-24(38-2)26(27)33-40(36,37)23-16-32-35(17-23)25-12-21(10-11-30-25)28(29)13-22(14-28)39-18-19-6-4-3-5-7-19/h3-12,15-17,22,33H,13-14,18H2,1-2H3
InChIKeyVOLQLBXSDXKQER-UHFFFAOYSA-N
MW562.63 g/mol
LogP4.51
Rot. Bonds9

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

1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 174207428) has the molecular formula C28H27FN6O4S and a molecular weight of 562.63 g/mol. Its IUPAC name is 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID174207428
Molecular FormulaC28H27FN6O4S
Molecular Weight562.63 g/mol
Exact Mass562.18
IUPAC Name1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C3(F)CC(OCc4ccccc4)C3)ccn2)c1
InChIInChI=1S/C28H27FN6O4S/c1-34-27-20(15-31-34)8-9-24(38-2)26(27)33-40(36,37)23-16-32-35(17-23)25-12-21(10-11-30-25)28(29)13-22(14-28)39-18-19-6-4-3-5-7-19/h3-12,15-17,22,33H,13-14,18H2,1-2H3
InChIKeyVOLQLBXSDXKQER-UHFFFAOYSA-N
XLogP4.51
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
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-[(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
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
CID 171918766
methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate
CID 170969296
1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968747
6-(4-chloropyrazol-1-yl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide
CID 170965058
1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanylpyrazol-1-yl]-4-pyridinyl]-3-methylcyclobutan-1-ol
CID 170968757
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 174207428) is 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C3(F)CC(OCc4ccccc4)C3)ccn2)c1.
What is the InChIKey of 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is VOLQLBXSDXKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4S/c1-34-27-20(15-31-34)8-9-24(38-2)26(27)33-40(36,37)23-16-32-35(17-23)25-12-21(10-11-30-25)28(29)13-22(14-28)39-18-19-6-4-3-5-7-19/h3-12,15-17,22,33H,13-14,18H2,1-2H3.
What are the key properties of 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 562.63 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoro-3-phenylmethoxycyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 174207428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).