1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol

C18H20F3N5O — CID 78042398

IUPAC1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
SMILESCC(O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O/c1-10(27)17-25-14-8-23-13-3-2-6-22-15(13)16(14)26(17)12-5-4-11(7-12)24-9-18(19,20)21/h2-3,6,8,10-12,24,27H,4-5,7,9H2,1H3
InChIKeyDGIYRHDLTQJSLI-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.28
Rot. Bonds4

About 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol

1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol (PubChem CID 78042398) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
PubChem CID78042398
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
SMILESCC(O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O/c1-10(27)17-25-14-8-23-13-3-2-6-22-15(13)16(14)26(17)12-5-4-11(7-12)24-9-18(19,20)21/h2-3,6,8,10-12,24,27H,4-5,7,9H2,1H3
InChIKeyDGIYRHDLTQJSLI-UHFFFAOYSA-N
XLogP3.28
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol (CID 78042398) is 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol is CC(O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)C1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The InChIKey is DGIYRHDLTQJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-10(27)17-25-14-8-23-13-3-2-6-22-15(13)16(14)26(17)12-5-4-11(7-12)24-9-18(19,20)21/h2-3,6,8,10-12,24,27H,4-5,7,9H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol has a molecular weight of 379.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol is sourced from PubChem (CID 78042398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).