5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C28H29N7 — CID 58529518

IUPAC5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCN(C4CC4)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
InChIInChI=1S/C28H29N7/c29-28-27-24(15-26(35(27)31-18-30-28)20-10-12-33(13-11-20)23-8-9-23)21-6-7-22-17-34(32-25(22)14-21)16-19-4-2-1-3-5-19/h1-7,14-15,17-18,20,23H,8-13,16H2,(H2,29,30,31)
InChIKeyCVQGVBAIRBCFJM-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.72
Rot. Bonds5

About 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58529518) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58529518
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCN(C4CC4)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
InChIInChI=1S/C28H29N7/c29-28-27-24(15-26(35(27)31-18-30-28)20-10-12-33(13-11-20)23-8-9-23)21-6-7-22-17-34(32-25(22)14-21)16-19-4-2-1-3-5-19/h1-7,14-15,17-18,20,23H,8-13,16H2,(H2,29,30,31)
InChIKeyCVQGVBAIRBCFJM-UHFFFAOYSA-N
XLogP4.72
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58529518) is 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCN(C4CC4)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12.
What is the InChIKey of 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CVQGVBAIRBCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7/c29-28-27-24(15-26(35(27)31-18-30-28)20-10-12-33(13-11-20)23-8-9-23)21-6-7-22-17-34(32-25(22)14-21)16-19-4-2-1-3-5-19/h1-7,14-15,17-18,20,23H,8-13,16H2,(H2,29,30,31).
What are the key properties of 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 463.59 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58529518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).