N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H24N8 — CID 137363067

IUPACN-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)nc1
InChIInChI=1S/C22H24N8/c1-2-11-23-17(8-1)18-9-4-12-29(18)22-26-21(19-10-5-13-30(19)27-22)25-20-14-28(15-24-20)16-6-3-7-16/h1-2,5,8,10-11,13-16,18H,3-4,6-7,9,12H2,(H,25,26,27)
InChIKeyUVYVZLAGVXSIHO-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.13
Rot. Bonds5

About N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 137363067) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID137363067
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC NameN-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)nc1
InChIInChI=1S/C22H24N8/c1-2-11-23-17(8-1)18-9-4-12-29(18)22-26-21(19-10-5-13-30(19)27-22)25-20-14-28(15-24-20)16-6-3-7-16/h1-2,5,8,10-11,13-16,18H,3-4,6-7,9,12H2,(H,25,26,27)
InChIKeyUVYVZLAGVXSIHO-UHFFFAOYSA-N
XLogP4.13
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 137363067) is N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is c1ccc(C2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)nc1.
What is the InChIKey of N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UVYVZLAGVXSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-2-11-23-17(8-1)18-9-4-12-29(18)22-26-21(19-10-5-13-30(19)27-22)25-20-14-28(15-24-20)16-6-3-7-16/h1-2,5,8,10-11,13-16,18H,3-4,6-7,9,12H2,(H,25,26,27).
What are the key properties of N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 400.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylimidazol-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 137363067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).