N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C21H20N10 — CID 142498415

IUPACN-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(-c4ccn[nH]4)cn3)c3cccn3n2)nc1
InChIInChI=1S/C21H20N10/c1-2-9-22-15(5-1)16-6-3-11-30(16)21-26-20(17-7-4-12-31(17)28-21)25-18-13-29(14-23-18)19-8-10-24-27-19/h1-2,4-5,7-10,12-14,16H,3,6,11H2,(H,24,27)(H,25,26,28)
InChIKeyQUCFDLFZIMLHDF-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 142498415) has the molecular formula C21H20N10 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID142498415
Molecular FormulaC21H20N10
Molecular Weight412.46 g/mol
Exact Mass412.19
IUPAC NameN-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(C2CCCN2c2nc(Nc3cn(-c4ccn[nH]4)cn3)c3cccn3n2)nc1
InChIInChI=1S/C21H20N10/c1-2-9-22-15(5-1)16-6-3-11-30(16)21-26-20(17-7-4-12-31(17)28-21)25-18-13-29(14-23-18)19-8-10-24-27-19/h1-2,4-5,7-10,12-14,16H,3,6,11H2,(H,24,27)(H,25,26,28)
InChIKeyQUCFDLFZIMLHDF-UHFFFAOYSA-N
XLogP3.12
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)imidazol-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-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 142498415) is N-[1-(1H-pyrazol-5-yl)imidazol-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-(1H-pyrazol-5-yl)imidazol-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-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is c1ccc(C2CCCN2c2nc(Nc3cn(-c4ccn[nH]4)cn3)c3cccn3n2)nc1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QUCFDLFZIMLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10/c1-2-9-22-15(5-1)16-6-3-11-30(16)21-26-20(17-7-4-12-31(17)28-21)25-18-13-29(14-23-18)19-8-10-24-27-19/h1-2,4-5,7-10,12-14,16H,3,6,11H2,(H,24,27)(H,25,26,28).
What are the key properties of N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 412.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 142498415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).