3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide

C21H23N7O2S — CID 155554538

IUPAC3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
SMILESNc1ncnn2c(-c3cccc(S(N)(=O)=O)c3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C21H23N7O2S/c22-21-20-17(18-9-10-25-27(18)15-6-2-1-3-7-15)12-19(28(20)26-13-24-21)14-5-4-8-16(11-14)31(23,29)30/h4-5,8-13,15H,1-3,6-7H2,(H2,22,24,26)(H2,23,29,30)
InChIKeyPIRYFPOBOXBFIH-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.99
Rot. Bonds4

About 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide

3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide (PubChem CID 155554538) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
PubChem CID155554538
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
SMILESNc1ncnn2c(-c3cccc(S(N)(=O)=O)c3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C21H23N7O2S/c22-21-20-17(18-9-10-25-27(18)15-6-2-1-3-7-15)12-19(28(20)26-13-24-21)14-5-4-8-16(11-14)31(23,29)30/h4-5,8-13,15H,1-3,6-7H2,(H2,22,24,26)(H2,23,29,30)
InChIKeyPIRYFPOBOXBFIH-UHFFFAOYSA-N
XLogP2.99
TPSA134.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide 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

Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10180652
3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949548
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-tert-butyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57394178
N-tert-butyl-3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57401173
Imidazo[1,2-b]pyridazine deriv. 2d
CID 6539040
3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949546

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide?
The IUPAC name of 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide (CID 155554538) is 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide is Nc1ncnn2c(-c3cccc(S(N)(=O)=O)c3)cc(-c3ccnn3C3CCCCC3)c12.
What is the InChIKey of 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide?
The InChIKey is PIRYFPOBOXBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c22-21-20-17(18-9-10-25-27(18)15-6-2-1-3-7-15)12-19(28(20)26-13-24-21)14-5-4-8-16(11-14)31(23,29)30/h4-5,8-13,15H,1-3,6-7H2,(H2,22,24,26)(H2,23,29,30).
What are the key properties of 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide?
3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide has a molecular weight of 437.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide is sourced from PubChem (CID 155554538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).