[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C60H52N14O — CID 89303392

About [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 89303392) has the molecular formula C60H52N14O and a molecular weight of 985.17 g/mol. Its IUPAC name is [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 89303392
• Molecular Formula: C60H52N14O
• Molecular Weight: 985.17 g/mol
• Exact Mass: 984.44
• IUPAC Name: [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: Nc1ncnn2c(C(=O)c3ccc4c(c3)CNCC4)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12.Nc1ncnn2c(Cc3ccc4c(c3)CNCC4)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
• InChI: InChI=1S/C30H25N7O.C30H27N7/c31-30-28-25(21-7-9-23-17-36(35-26(23)13-21)16-19-4-2-1-3-5-19)14-27(37(28)34-18-33-30)29(38)22-8-6-20-10-11-32-15-24(20)12-22;31-30-29-27(23-8-9-24-18-36(35-28(24)14-23)17-20-4-2-1-3-5-20)15-26(37(29)34-19-33-30)13-21-6-7-22-10-11-32-16-25(22)12-21/h1-9,12-14,17-18,32H,10-11,15-16H2,(H2,31,33,34);1-9,12,14-15,18-19,32H,10-11,13,16-17H2,(H2,31,33,34)
• InChIKey: HSGNCJVJKMCYMQ-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 189.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.17
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 89303392) is [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C(=O)c3ccc4c(c3)CNCC4)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12.Nc1ncnn2c(Cc3ccc4c(c3)CNCC4)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12.

What is the InChIKey of [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is HSGNCJVJKMCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O.C30H27N7/c31-30-28-25(21-7-9-23-17-36(35-26(23)13-21)16-19-4-2-1-3-5-19)14-27(37(28)34-18-33-30)29(38)22-8-6-20-10-11-32-15-24(20)12-22;31-30-29-27(23-8-9-24-18-36(35-28(24)14-23)17-20-4-2-1-3-5-20)15-26(37(29)34-19-33-30)13-21-6-7-22-10-11-32-16-25(22)12-21/h1-9,12-14,17-18,32H,10-11,15-16H2,(H2,31,33,34);1-9,12,14-15,18-19,32H,10-11,13,16-17H2,(H2,31,33,34).

What are the key properties of [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 985.17 g/mol, XLogP of 8.87, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone;5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 89303392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).