N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol

C20H22FN7O — CID 142498510

IUPACN-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
SMILESCO.Fc1ccccc1-n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1
InChIInChI=1S/C19H18FN7.CH4O/c20-14-6-1-2-7-15(14)26-12-17(21-13-26)22-18-16-8-5-11-27(16)24-19(23-18)25-9-3-4-10-25;1-2/h1-2,5-8,11-13H,3-4,9-10H2,(H,22,23,24);2H,1H3
InChIKeyLIFRLGUUWQNIOA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.01
Rot. Bonds4

About N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol

N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol (PubChem CID 142498510) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
PubChem CID142498510
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
SMILESCO.Fc1ccccc1-n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1
InChIInChI=1S/C19H18FN7.CH4O/c20-14-6-1-2-7-15(14)26-12-17(21-13-26)22-18-16-8-5-11-27(16)24-19(23-18)25-9-3-4-10-25;1-2/h1-2,5-8,11-13H,3-4,9-10H2,(H,22,23,24);2H,1H3
InChIKeyLIFRLGUUWQNIOA-UHFFFAOYSA-N
XLogP3.01
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 142498660
acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143606443
[(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-(3,4-dimethoxy-5-methylphenyl)imidazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163451204
2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497912
N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 137362642
2-(2,6-difluoro-4-methylphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 70902246
methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 142498590
4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 137363237
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 68840389
2-(4-methylphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-piperidin-1-ylethanone
CID 70902249

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The IUPAC name of N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol (CID 142498510) is N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol.
What is the SMILES notation for N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The canonical SMILES for N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol is CO.Fc1ccccc1-n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The InChIKey is LIFRLGUUWQNIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7.CH4O/c20-14-6-1-2-7-15(14)26-12-17(21-13-26)22-18-16-8-5-11-27(16)24-19(23-18)25-9-3-4-10-25;1-2/h1-2,5-8,11-13H,3-4,9-10H2,(H,22,23,24);2H,1H3.
What are the key properties of N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol has a molecular weight of 395.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol is sourced from PubChem (CID 142498510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).