2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H22N6OS — CID 118124106

IUPAC2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ncc(-c2nc(NCc3nc(C)cs3)c3c(-c4ccccc4)ccn3n2)cc1C
InChIInChI=1S/C24H22N6OS/c1-15-11-18(12-26-24(15)31-3)22-28-23(25-13-20-27-16(2)14-32-20)21-19(9-10-30(21)29-22)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28,29)
InChIKeyLYDBVAWHYDRGOM-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.15
Rot. Bonds6

About 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118124106) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118124106
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ncc(-c2nc(NCc3nc(C)cs3)c3c(-c4ccccc4)ccn3n2)cc1C
InChIInChI=1S/C24H22N6OS/c1-15-11-18(12-26-24(15)31-3)22-28-23(25-13-20-27-16(2)14-32-20)21-19(9-10-30(21)29-22)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28,29)
InChIKeyLYDBVAWHYDRGOM-UHFFFAOYSA-N
XLogP5.15
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine 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 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118124106) is 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ncc(-c2nc(NCc3nc(C)cs3)c3c(-c4ccccc4)ccn3n2)cc1C.
What is the InChIKey of 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LYDBVAWHYDRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-15-11-18(12-26-24(15)31-3)22-28-23(25-13-20-27-16(2)14-32-20)21-19(9-10-30(21)29-22)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28,29).
What are the key properties of 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 442.55 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-5-methyl-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).