2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide

C15H21N5O2S — CID 138018471

IUPAC2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)NC1CCn3nccc3C1)CCCC2
InChIInChI=1S/C15H21N5O2S/c1-19-15(13-4-2-3-5-14(13)17-19)23(21,22)18-11-7-9-20-12(10-11)6-8-16-20/h6,8,11,18H,2-5,7,9-10H2,1H3
InChIKeyGHPZWOSZMOPMNQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide

2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide (PubChem CID 138018471) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
PubChem CID138018471
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)NC1CCn3nccc3C1)CCCC2
InChIInChI=1S/C15H21N5O2S/c1-19-15(13-4-2-3-5-14(13)17-19)23(21,22)18-11-7-9-20-12(10-11)6-8-16-20/h6,8,11,18H,2-5,7,9-10H2,1H3
InChIKeyGHPZWOSZMOPMNQ-UHFFFAOYSA-N
XLogP0.79
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide (CID 138018471) is 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide is Cn1nc2c(c1S(=O)(=O)NC1CCn3nccc3C1)CCCC2.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The InChIKey is GHPZWOSZMOPMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-15(13-4-2-3-5-14(13)17-19)23(21,22)18-11-7-9-20-12(10-11)6-8-16-20/h6,8,11,18H,2-5,7,9-10H2,1H3.
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide?
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide is sourced from PubChem (CID 138018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).