methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C22H24F3N7O2 — CID 142498590

IUPACmethanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCO.COc1ccc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N7O.CH4O/c1-32-17-7-6-14(11-15(17)21(22,23)24)30-12-18(25-13-30)26-20-27-19(29-8-2-3-9-29)16-5-4-10-31(16)28-20;1-2/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,28);2H,1H3
InChIKeyLNYXDUACFUXIST-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.89
Rot. Bonds5

About methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 142498590) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Namemethanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID142498590
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Namemethanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCO.COc1ccc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc1C(F)(F)F
InChIInChI=1S/C21H20F3N7O.CH4O/c1-32-17-7-6-14(11-15(17)21(22,23)24)30-12-18(25-13-30)26-20-27-19(29-8-2-3-9-29)16-5-4-10-31(16)28-20;1-2/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,28);2H,1H3
InChIKeyLNYXDUACFUXIST-UHFFFAOYSA-N
XLogP3.89
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 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) is methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is CO.COc1ccc(-n2cnc(Nc3nc(N4CCCC4)c4cccn4n3)c2)cc1C(F)(F)F.
What is the InChIKey of methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is LNYXDUACFUXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O.CH4O/c1-32-17-7-6-14(11-15(17)21(22,23)24)30-12-18(25-13-30)26-20-27-19(29-8-2-3-9-29)16-5-4-10-31(16)28-20;1-2/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,28);2H,1H3.
What are the key properties of methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 475.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]-4-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 142498590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).