1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide

C19H18N6O2S — CID 170969086

IUPAC1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5CC5)ccn4)c3)c12
InChIInChI=1S/C19H18N6O2S/c1-12-19-16(23-22-12)3-2-4-17(19)24-28(26,27)15-10-21-25(11-15)18-9-14(7-8-20-18)13-5-6-13/h2-4,7-11,13,24H,5-6H2,1H3,(H,22,23)
InChIKeyYYACIVWCWPGFRK-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.13
Rot. Bonds5

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

1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 170969086) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
PubChem CID170969086
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5CC5)ccn4)c3)c12
InChIInChI=1S/C19H18N6O2S/c1-12-19-16(23-22-12)3-2-4-17(19)24-28(26,27)15-10-21-25(11-15)18-9-14(7-8-20-18)13-5-6-13/h2-4,7-11,13,24H,5-6H2,1H3,(H,22,23)
InChIKeyYYACIVWCWPGFRK-UHFFFAOYSA-N
XLogP3.13
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide (CID 170969086) is 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide is Cc1[nH]nc2cccc(NS(=O)(=O)c3cnn(-c4cc(C5CC5)ccn4)c3)c12.
What is the InChIKey of 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is YYACIVWCWPGFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-12-19-16(23-22-12)3-2-4-17(19)24-28(26,27)15-10-21-25(11-15)18-9-14(7-8-20-18)13-5-6-13/h2-4,7-11,13,24H,5-6H2,1H3,(H,22,23).
What are the key properties of 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide?
1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-pyridinyl)-N-(3-methyl-2H-indazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170969086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).