1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide

C26H27N7O2S — CID 166055045

IUPAC1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide
SMILESCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCC(S(N)(=O)=O)CC4)nc3)c12
InChIInChI=1S/C26H27N7O2S/c1-17-5-3-7-21-25(20-6-4-8-23-22(20)16-31(2)29-23)30-33(26(17)21)18-9-10-24(28-15-18)32-13-11-19(12-14-32)36(27,34)35/h3-10,15-16,19H,11-14H2,1-2H3,(H2,27,34,35)
InChIKeyRTOIFVDIKQQKLV-UHFFFAOYSA-N
MW501.62 g/mol
LogP3.54
Rot. Bonds4

About 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide

1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide (PubChem CID 166055045) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide
PubChem CID166055045
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC Name1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide
SMILESCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCC(S(N)(=O)=O)CC4)nc3)c12
InChIInChI=1S/C26H27N7O2S/c1-17-5-3-7-21-25(20-6-4-8-23-22(20)16-31(2)29-23)30-33(26(17)21)18-9-10-24(28-15-18)32-13-11-19(12-14-32)36(27,34)35/h3-10,15-16,19H,11-14H2,1-2H3,(H2,27,34,35)
InChIKeyRTOIFVDIKQQKLV-UHFFFAOYSA-N
XLogP3.54
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide 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

1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 166054945
N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 166054951
1,3-dimethyl-8-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166055001
1-[4-[5-[3-(6-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 171533639
tert-butyl N-[3-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 166055025
1-[5-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171533720
1-[(1R,4S)-2-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 171600034
methyl 3-[5-[6-(hydroxymethyl)-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 166055027
3-[5-[7-methoxy-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 166097121
4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
CID 166054981
5-chloro-7-methyl-1-[6-[(5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-3-(2-methylindazol-4-yl)indazole;formic acid
CID 171533462
6-chloro-5-fluoro-7-methyl-1-[6-[(5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-3-(2-methylindazol-4-yl)indazole;formic acid
CID 171533512

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide (CID 166055045) is 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide is Cc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCC(S(N)(=O)=O)CC4)nc3)c12.
What is the InChIKey of 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide?
The InChIKey is RTOIFVDIKQQKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-17-5-3-7-21-25(20-6-4-8-23-22(20)16-31(2)29-23)30-33(26(17)21)18-9-10-24(28-15-18)32-13-11-19(12-14-32)36(27,34)35/h3-10,15-16,19H,11-14H2,1-2H3,(H2,27,34,35).
What are the key properties of 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide?
1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide has a molecular weight of 501.62 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-sulfonamide is sourced from PubChem (CID 166055045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).