2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C15H18N4O3S — CID 167804498

IUPAC2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NS(=O)(=O)Cc1ccccn1)CCCC2
InChIInChI=1S/C15H18N4O3S/c1-19-14(12-7-2-3-8-13(12)17-19)15(20)18-23(21,22)10-11-6-4-5-9-16-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,20)
InChIKeyRRBFCEGOBVMLGU-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.95
Rot. Bonds4

About 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 167804498) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID167804498
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NS(=O)(=O)Cc1ccccn1)CCCC2
InChIInChI=1S/C15H18N4O3S/c1-19-14(12-7-2-3-8-13(12)17-19)15(20)18-23(21,22)10-11-6-4-5-9-16-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,20)
InChIKeyRRBFCEGOBVMLGU-UHFFFAOYSA-N
XLogP0.95
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 136557586
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
N-[2-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 87392810
(1S,5R)-6,6-dimethyl-N-(pyridin-2-ylmethylsulfonyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 166268779
2-methoxy-2-phenyl-N-(pyridin-2-ylmethylsulfonyl)acetamide
CID 167984020
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
CID 15135402
N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CID 136570613
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125448070
1-hydroxy-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 126790220
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 50874512
N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 74232119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 167804498) is 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc2c(c1C(=O)NS(=O)(=O)Cc1ccccn1)CCCC2.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RRBFCEGOBVMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19-14(12-7-2-3-8-13(12)17-19)15(20)18-23(21,22)10-11-6-4-5-9-16-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 167804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).