4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid

C27H18ClF5N4O5 — CID 146503881

IUPAC4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c(Cl)c2COc2ccc(C(=O)O)cc2)c1)c1cnc2c(c1)OC(F)(F)C2
InChIInChI=1S/C27H18ClF5N4O5/c1-36(17-10-21-19(34-12-17)11-26(29,30)42-21)24(38)15-3-2-4-16(9-15)37-20(22(28)23(35-37)27(31,32)33)13-41-18-7-5-14(6-8-18)25(39)40/h2-10,12H,11,13H2,1H3,(H,39,40)
InChIKeyJGXIAKWQFVAKRX-UHFFFAOYSA-N
MW608.91 g/mol
LogP6.02
Rot. Bonds7

About 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid

4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid (PubChem CID 146503881) has the molecular formula C27H18ClF5N4O5 and a molecular weight of 608.91 g/mol. Its IUPAC name is 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
PubChem CID146503881
Molecular FormulaC27H18ClF5N4O5
Molecular Weight608.91 g/mol
Exact Mass608.09
IUPAC Name4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
SMILESCN(C(=O)c1cccc(-n2nc(C(F)(F)F)c(Cl)c2COc2ccc(C(=O)O)cc2)c1)c1cnc2c(c1)OC(F)(F)C2
InChIInChI=1S/C27H18ClF5N4O5/c1-36(17-10-21-19(34-12-17)11-26(29,30)42-21)24(38)15-3-2-4-16(9-15)37-20(22(28)23(35-37)27(31,32)33)13-41-18-7-5-14(6-8-18)25(39)40/h2-10,12H,11,13H2,1H3,(H,39,40)
InChIKeyJGXIAKWQFVAKRX-UHFFFAOYSA-N
XLogP6.02
TPSA106.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.91
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-chloro-2-[3-[methyl(quinolin-6-yl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
CID 146503877
4-[[4-chloro-2-[3-[methyl-(2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid
CID 135330917
ethyl 4-[[2-[3-[1,3-benzodioxol-5-yl(methyl)carbamoyl]phenyl]-4-chloro-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoate
CID 142429144
6-[[4-chloro-2-[3-[[2-(difluoromethoxy)pyrimidin-5-yl]-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-3-carboxylic acid
CID 146503866
4-[[1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]oxy]benzoic acid
CID 155051121
4-[[(7R)-1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
CID 142428844
4-[[(7S)-1-[3-[2,3-dihydro-1-benzofuran-6-yl(methyl)carbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
CID 155322761
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-3-[7-[(6-methyl-3-pyridinyl)oxy]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155051146
3-[(7S)-7-(4-carbamoylphenoxy)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylbenzamide
CID 155317010
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-3-[7-phenylmethoxy-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl]benzamide
CID 142428816
tert-butyl 4-[[4-chloro-2-[3-[2-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)acetyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoate
CID 159367257
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide
CID 164903158

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid (CID 146503881) is 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid is CN(C(=O)c1cccc(-n2nc(C(F)(F)F)c(Cl)c2COc2ccc(C(=O)O)cc2)c1)c1cnc2c(c1)OC(F)(F)C2.
What is the InChIKey of 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid?
The InChIKey is JGXIAKWQFVAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF5N4O5/c1-36(17-10-21-19(34-12-17)11-26(29,30)42-21)24(38)15-3-2-4-16(9-15)37-20(22(28)23(35-37)27(31,32)33)13-41-18-7-5-14(6-8-18)25(39)40/h2-10,12H,11,13H2,1H3,(H,39,40).
What are the key properties of 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid?
4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid has a molecular weight of 608.91 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-[3-[(2,2-difluoro-3H-furo[3,2-b]pyridin-6-yl)-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoic acid is sourced from PubChem (CID 146503881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).