3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C22H16F3N5O2 — CID 118273718

IUPAC3,4,6,7-tetrahydroimidazo[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)N1CCc2nc[nH]c2C1
InChIInChI=1S/C22H16F3N5O2/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/h1-6,9-10,12H,7-8,11H2,(H,27,28)
InChIKeyHMUQFYVFFJIGMO-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.36
Rot. Bonds3

About 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273718) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273718
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name3,4,6,7-tetrahydroimidazo[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)N1CCc2nc[nH]c2C1
InChIInChI=1S/C22H16F3N5O2/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/h1-6,9-10,12H,7-8,11H2,(H,27,28)
InChIKeyHMUQFYVFFJIGMO-UHFFFAOYSA-N
XLogP4.36
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273718) is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for 3,4,6,7-tetrahydroimidazo[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)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is HMUQFYVFFJIGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/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/h1-6,9-10,12H,7-8,11H2,(H,27,28).
What are the key properties of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 439.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).