N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

C16H20N4O2S — CID 136569966

IUPACN-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1ccc(C3CC3)cn1)CCCC2
InChIInChI=1S/C16H20N4O2S/c1-20-16(13-4-2-3-5-14(13)18-20)23(21,22)19-15-9-8-12(10-17-15)11-6-7-11/h8-11H,2-7H2,1H3,(H,17,19)
InChIKeyOETYRDHYEHKNNT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds4

About N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (PubChem CID 136569966) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
PubChem CID136569966
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1ccc(C3CC3)cn1)CCCC2
InChIInChI=1S/C16H20N4O2S/c1-20-16(13-4-2-3-5-14(13)18-20)23(21,22)19-15-9-8-12(10-17-15)11-6-7-11/h8-11H,2-7H2,1H3,(H,17,19)
InChIKeyOETYRDHYEHKNNT-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 167854843
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018471
2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018134
N-(2-acetyl-1,3-dihydroisoindol-5-yl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonamide
CID 167841593
ethyl 4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)sulfonylamino]but-2-ynoate
CID 136571184
N-(5-amino-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 62062956
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
CID 106314666
2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)indazole-3-sulfonamide
CID 167990453
4-[[(5-cyclobutyl-2-pyridinyl)amino]methyl]benzoic acid
CID 122034848
N-[5-(aminomethyl)-2-pyridinyl]-1-methylpyrazole-4-sulfonamide
CID 62353719
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 19683131
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (CID 136569966) is N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The canonical SMILES for N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is Cn1nc2c(c1S(=O)(=O)Nc1ccc(C3CC3)cn1)CCCC2.
What is the InChIKey of N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The InChIKey is OETYRDHYEHKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20-16(13-4-2-3-5-14(13)18-20)23(21,22)19-15-9-8-12(10-17-15)11-6-7-11/h8-11H,2-7H2,1H3,(H,17,19).
What are the key properties of N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is sourced from PubChem (CID 136569966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).