1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C22H18F3N5O2 — CID 118295357

IUPAC1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC=C2NCNC2C1
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)14-2-6-20(26-10-14)32-15-3-5-16-13(9-15)1-4-18(29-16)21(31)30-8-7-17-19(11-30)28-12-27-17/h1-7,9-10,19,27-28H,8,11-12H2
InChIKeyQIPNGHDWYSLZPN-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.30
Rot. Bonds3

About 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118295357) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118295357
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC=C2NCNC2C1
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)14-2-6-20(26-10-14)32-15-3-5-16-13(9-15)1-4-18(29-16)21(31)30-8-7-17-19(11-30)28-12-27-17/h1-7,9-10,19,27-28H,8,11-12H2
InChIKeyQIPNGHDWYSLZPN-UHFFFAOYSA-N
XLogP3.30
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992
(3-hydroxy-4-methoxypyrrolidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273812
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
(6-fluoro-1,4-diazepan-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273380
(2S)-2-methyl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazine-1-carboxylic acid
CID 118273456
[(3aR,4S,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273860
(3S)-1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-3-carboxamide
CID 118273564
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273807

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118295357) is 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC=C2NCNC2C1.
What is the InChIKey of 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is QIPNGHDWYSLZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c23-22(24,25)14-2-6-20(26-10-14)32-15-3-5-16-13(9-15)1-4-18(29-16)21(31)30-8-7-17-19(11-30)28-12-27-17/h1-7,9-10,19,27-28H,8,11-12H2.
What are the key properties of 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 441.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,6-hexahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).