N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide

C19H18N6O2S — CID 170964650

IUPACN-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide
SMILESCn1ncc2ccc(-n3cc(C4CC4)cn3)c(NS(=O)(=O)c3cccnc3)c21
InChIInChI=1S/C19H18N6O2S/c1-24-19-14(9-21-24)6-7-17(25-12-15(10-22-25)13-4-5-13)18(19)23-28(26,27)16-3-2-8-20-11-16/h2-3,6-13,23H,4-5H2,1H3
InChIKeyKNVSIGOVVGZWJD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.83
Rot. Bonds5

About N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide

N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide (PubChem CID 170964650) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide
PubChem CID170964650
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC NameN-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide
SMILESCn1ncc2ccc(-n3cc(C4CC4)cn3)c(NS(=O)(=O)c3cccnc3)c21
InChIInChI=1S/C19H18N6O2S/c1-24-19-14(9-21-24)6-7-17(25-12-15(10-22-25)13-4-5-13)18(19)23-28(26,27)16-3-2-8-20-11-16/h2-3,6-13,23H,4-5H2,1H3
InChIKeyKNVSIGOVVGZWJD-UHFFFAOYSA-N
XLogP2.83
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide (CID 170964650) is N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide is Cn1ncc2ccc(-n3cc(C4CC4)cn3)c(NS(=O)(=O)c3cccnc3)c21.
What is the InChIKey of N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide?
The InChIKey is KNVSIGOVVGZWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-24-19-14(9-21-24)6-7-17(25-12-15(10-22-25)13-4-5-13)18(19)23-28(26,27)16-3-2-8-20-11-16/h2-3,6-13,23H,4-5H2,1H3.
What are the key properties of N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide?
N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropylpyrazol-1-yl)-1-methylindazol-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 170964650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).