5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

C22H19N7O2S2 — CID 90386188

IUPAC5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
SMILESCc1csc(CNc2nc(-c3cncc(S(N)(=O)=O)c3)nn3ccc(-c4ccccc4)c23)n1
InChIInChI=1S/C22H19N7O2S2/c1-14-13-32-19(26-14)12-25-22-20-18(15-5-3-2-4-6-15)7-8-29(20)28-21(27-22)16-9-17(11-24-10-16)33(23,30)31/h2-11,13H,12H2,1H3,(H2,23,30,31)(H,25,27,28)
InChIKeyJELSSDQUDWFAHK-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.48
Rot. Bonds6

About 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (PubChem CID 90386188) has the molecular formula C22H19N7O2S2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
PubChem CID90386188
Molecular FormulaC22H19N7O2S2
Molecular Weight477.58 g/mol
Exact Mass477.10
IUPAC Name5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
SMILESCc1csc(CNc2nc(-c3cncc(S(N)(=O)=O)c3)nn3ccc(-c4ccccc4)c23)n1
InChIInChI=1S/C22H19N7O2S2/c1-14-13-32-19(26-14)12-25-22-20-18(15-5-3-2-4-6-15)7-8-29(20)28-21(27-22)16-9-17(11-24-10-16)33(23,30)31/h2-11,13H,12H2,1H3,(H2,23,30,31)(H,25,27,28)
InChIKeyJELSSDQUDWFAHK-UHFFFAOYSA-N
XLogP3.48
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (CID 90386188) is 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is Cc1csc(CNc2nc(-c3cncc(S(N)(=O)=O)c3)nn3ccc(-c4ccccc4)c23)n1.
What is the InChIKey of 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
The InChIKey is JELSSDQUDWFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S2/c1-14-13-32-19(26-14)12-25-22-20-18(15-5-3-2-4-6-15)7-8-29(20)28-21(27-22)16-9-17(11-24-10-16)33(23,30)31/h2-11,13H,12H2,1H3,(H2,23,30,31)(H,25,27,28).
What are the key properties of 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?
5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide has a molecular weight of 477.58 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 90386188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).