1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide

C19H18N6O4S — CID 175679475

IUPAC1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(O)COC5)ccn4)c3)c12
InChIInChI=1S/C19H18N6O4S/c1-12-18-15(23-22-12)3-2-4-16(18)24-30(27,28)14-8-21-25(9-14)17-7-13(5-6-20-17)19(26)10-29-11-19/h2-9,24,26H,10-11H2,1H3,(H,22,23)
InChIKeyIVLWQHZZTYDZBG-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide

1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 175679475) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
PubChem CID175679475
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC Name1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(O)COC5)ccn4)c3)c12
InChIInChI=1S/C19H18N6O4S/c1-12-18-15(23-22-12)3-2-4-16(18)24-30(27,28)14-8-21-25(9-14)17-7-13(5-6-20-17)19(26)10-29-11-19/h2-9,24,26H,10-11H2,1H3,(H,22,23)
InChIKeyIVLWQHZZTYDZBG-UHFFFAOYSA-N
XLogP1.47
TPSA135.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

1-[4-(3-fluorooxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
CID 170968881
1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
CID 170969086
1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968747
1-(4-acetyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969256
1-[4-(1-hydroxy-3-methylcyclobutyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969139
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
1-[4-(1-hydroxyethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969373
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083
1-[4-(difluoromethyl)-2-pyridinyl]-N-(1-ethyl-2,3-dihydroindazol-7-yl)pyrazole-4-sulfonamide
CID 170968996
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide (CID 175679475) is 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide is Cc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5(O)COC5)ccn4)c3)c12.
What is the InChIKey of 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is IVLWQHZZTYDZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-12-18-15(23-22-12)3-2-4-16(18)24-30(27,28)14-8-21-25(9-14)17-7-13(5-6-20-17)19(26)10-29-11-19/h2-9,24,26H,10-11H2,1H3,(H,22,23).
What are the key properties of 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 426.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 175679475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).