4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide

C23H17N7OS — CID 138715698

IUPAC4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
SMILESCn1cc(-c2cc3c(-c4ccc(NS(=O)c5ccc(C#N)cc5)cc4)ncnn3c2)cn1
InChIInChI=1S/C23H17N7OS/c1-29-13-19(12-26-29)18-10-22-23(25-15-27-30(22)14-18)17-4-6-20(7-5-17)28-32(31)21-8-2-16(11-24)3-9-21/h2-10,12-15,28H,1H3
InChIKeyACQLLEKTVANIGE-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.80
Rot. Bonds5

About 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide

4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide (PubChem CID 138715698) has the molecular formula C23H17N7OS and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide.

Molecular Properties

Compound Name4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
PubChem CID138715698
Molecular FormulaC23H17N7OS
Molecular Weight439.50 g/mol
Exact Mass439.12
IUPAC Name4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
SMILESCn1cc(-c2cc3c(-c4ccc(NS(=O)c5ccc(C#N)cc5)cc4)ncnn3c2)cn1
InChIInChI=1S/C23H17N7OS/c1-29-13-19(12-26-29)18-10-22-23(25-15-27-30(22)14-18)17-4-6-20(7-5-17)28-32(31)21-8-2-16(11-24)3-9-21/h2-10,12-15,28H,1H3
InChIKeyACQLLEKTVANIGE-UHFFFAOYSA-N
XLogP3.80
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide 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

4-chloro-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
CID 138715674
N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propane-2-sulfonamide
CID 126492040
2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492057
benzyl cyanate;1-benzyl-3-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]urea;4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]aniline
CID 160885206
2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide
CID 159064937
4-amino-N-(4-cyanophenyl)benzenesulfinamide
CID 82482996
N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696891
4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide
CID 126492054
N-(4-cyanophenyl)-1-[6-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696889
3-methyl-N-[(4-methylphenyl)methyl]-1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118698067
3-tert-butyl-N-[[2-methoxy-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 176883681
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;hydrochloride
CID 164572757

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide?
The IUPAC name of 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide (CID 138715698) is 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide.
What is the SMILES notation for 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide?
The canonical SMILES for 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide is Cn1cc(-c2cc3c(-c4ccc(NS(=O)c5ccc(C#N)cc5)cc4)ncnn3c2)cn1.
What is the InChIKey of 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide?
The InChIKey is ACQLLEKTVANIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7OS/c1-29-13-19(12-26-29)18-10-22-23(25-15-27-30(22)14-18)17-4-6-20(7-5-17)28-32(31)21-8-2-16(11-24)3-9-21/h2-10,12-15,28H,1H3.
What are the key properties of 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide?
4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide has a molecular weight of 439.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide is sourced from PubChem (CID 138715698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).