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

C23H25N7 — CID 137362642

IUPACN-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc([C@@H]2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)cc1
InChIInChI=1S/C23H25N7/c1-2-7-17(8-3-1)19-11-5-13-29(19)23-26-22(20-12-6-14-30(20)27-23)25-21-15-28(16-24-21)18-9-4-10-18/h1-3,6-8,12,14-16,18-19H,4-5,9-11,13H2,(H,25,26,27)/t19-/m0/s1
InChIKeyGBGNWLFQNXWNNT-IBGZPJMESA-N
MW399.50 g/mol
LogP4.74
Rot. Bonds5

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

N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 137362642) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID137362642
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC NameN-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc([C@@H]2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)cc1
InChIInChI=1S/C23H25N7/c1-2-7-17(8-3-1)19-11-5-13-29(19)23-26-22(20-12-6-14-30(20)27-23)25-21-15-28(16-24-21)18-9-4-10-18/h1-3,6-8,12,14-16,18-19H,4-5,9-11,13H2,(H,25,26,27)/t19-/m0/s1
InChIKeyGBGNWLFQNXWNNT-IBGZPJMESA-N
XLogP4.74
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 142498660
N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497938
N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 24824686
[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 137362700
N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 142498070
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
1-[(2S)-1-[4-[(1-ethylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-piperidin-3-ylethanone
CID 58277717
1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide
CID 163524731
N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498510
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
2-[[2-[(2S)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 89305964

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 137362642) is N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is c1ccc([C@@H]2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)cc1.
What is the InChIKey of N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GBGNWLFQNXWNNT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N7/c1-2-7-17(8-3-1)19-11-5-13-29(19)23-26-22(20-12-6-14-30(20)27-23)25-21-15-28(16-24-21)18-9-4-10-18/h1-3,6-8,12,14-16,18-19H,4-5,9-11,13H2,(H,25,26,27)/t19-/m0/s1.
What are the key properties of N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 137362642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).