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

C19H22F3N5O — CID 71212718

IUPAC(1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C19H22F3N5O/c1-11(28)18-26-15-9-24-14-3-2-8-23-16(14)17(15)27(18)13-6-4-12(5-7-13)25-10-19(20,21)22/h2-3,8-9,11-13,25,28H,4-7,10H2,1H3/t11-,12?,13?/m1/s1
InChIKeyQJZUUOLKZYRHGX-PNESKVBLSA-N
MW393.41 g/mol
LogP3.67
Rot. Bonds4

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

(1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol (PubChem CID 71212718) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
PubChem CID71212718
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name(1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C19H22F3N5O/c1-11(28)18-26-15-9-24-14-3-2-8-23-16(14)17(15)27(18)13-6-4-12(5-7-13)25-10-19(20,21)22/h2-3,8-9,11-13,25,28H,4-7,10H2,1H3/t11-,12?,13?/m1/s1
InChIKeyQJZUUOLKZYRHGX-PNESKVBLSA-N
XLogP3.67
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol (CID 71212718) is (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol is C[C@@H](O)c1nc2cnc3cccnc3c2n1C1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
The InChIKey is QJZUUOLKZYRHGX-PNESKVBLSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-11(28)18-26-15-9-24-14-3-2-8-23-16(14)17(15)27(18)13-6-4-12(5-7-13)25-10-19(20,21)22/h2-3,8-9,11-13,25,28H,4-7,10H2,1H3/t11-,12?,13?/m1/s1.
What are the key properties of (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol?
(1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol has a molecular weight of 393.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[4-(2,2,2-trifluoroethylamino)cyclohexyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]ethanol is sourced from PubChem (CID 71212718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).