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

C23H27N7O3S — CID 175679500

IUPACN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C23H27N7O3S/c1-16-7-10-29(11-8-16)18-6-9-24-21(12-18)30-15-19(14-26-30)34(31,32)27-22-20(33-3)5-4-17-13-25-28(2)23(17)22/h4-6,9,12-16,27H,7-8,10-11H2,1-3H3
InChIKeyCQURJKHOZLXLDF-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.20
Rot. Bonds6

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

N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 175679500) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID175679500
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C23H27N7O3S/c1-16-7-10-29(11-8-16)18-6-9-24-21(12-18)30-15-19(14-26-30)34(31,32)27-22-20(33-3)5-4-17-13-25-28(2)23(17)22/h4-6,9,12-16,27H,7-8,10-11H2,1-3H3
InChIKeyCQURJKHOZLXLDF-UHFFFAOYSA-N
XLogP3.20
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 175679500) is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CCC(C)CC3)ccn2)c1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is CQURJKHOZLXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c1-16-7-10-29(11-8-16)18-6-9-24-21(12-18)30-15-19(14-26-30)34(31,32)27-22-20(33-3)5-4-17-13-25-28(2)23(17)22/h4-6,9,12-16,27H,7-8,10-11H2,1-3H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 481.58 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 175679500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).