1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid

C23H16F3N3O4 — CID 68908152

IUPAC1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cnc(Oc3ccnc(C(F)(F)F)c3)cc2n1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C23H16F3N3O4/c24-23(25,26)20-10-17(7-8-27-20)33-21-11-18-13(12-28-21)9-19(22(30)31)29(18)14-1-3-15(4-2-14)32-16-5-6-16/h1-4,7-12,16H,5-6H2,(H,30,31)
InChIKeyOHEUGBBTASWJRM-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.47
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid

1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 68908152) has the molecular formula C23H16F3N3O4 and a molecular weight of 455.39 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID68908152
Molecular FormulaC23H16F3N3O4
Molecular Weight455.39 g/mol
Exact Mass455.11
IUPAC Name1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cnc(Oc3ccnc(C(F)(F)F)c3)cc2n1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C23H16F3N3O4/c24-23(25,26)20-10-17(7-8-27-20)33-21-11-18-13(12-28-21)9-19(22(30)31)29(18)14-1-3-15(4-2-14)32-16-5-6-16/h1-4,7-12,16H,5-6H2,(H,30,31)
InChIKeyOHEUGBBTASWJRM-UHFFFAOYSA-N
XLogP5.47
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
CID 175716062
ethyl 2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoate
CID 121318815
1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
CID 86616823
2-cyclopropyl-1-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 139028611
(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 163353329
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]ethanamine
CID 121318767
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
2-[[6-[6-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602737
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
CID 139028928
4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid
CID 139349633

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 68908152) is 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1cc2cnc(Oc3ccnc(C(F)(F)F)c3)cc2n1-c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is OHEUGBBTASWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4/c24-23(25,26)20-10-17(7-8-27-20)33-21-11-18-13(12-28-21)9-19(22(30)31)29(18)14-1-3-15(4-2-14)32-16-5-6-16/h1-4,7-12,16H,5-6H2,(H,30,31).
What are the key properties of 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 455.39 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 68908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).