4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid

C24H26ClF4N3O3 — CID 118561333

IUPAC4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid
SMILESCC(C(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3F)c2C1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C24H26ClF4N3O3/c1-13(14-2-4-15(5-3-14)23(34)35)22(33)31-9-8-18-20(12-31)32(30-21(18)24(27,28)29)11-16-6-7-17(25)10-19(16)26/h6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,34,35)
InChIKeyIYUYDJLUQXWZCF-UHFFFAOYSA-N
MW515.94 g/mol
LogP5.15
Rot. Bonds5

About 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid

4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 118561333) has the molecular formula C24H26ClF4N3O3 and a molecular weight of 515.94 g/mol. Its IUPAC name is 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid
PubChem CID118561333
Molecular FormulaC24H26ClF4N3O3
Molecular Weight515.94 g/mol
Exact Mass515.16
IUPAC Name4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid
SMILESCC(C(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3F)c2C1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C24H26ClF4N3O3/c1-13(14-2-4-15(5-3-14)23(34)35)22(33)31-9-8-18-20(12-31)32(30-21(18)24(27,28)29)11-16-6-7-17(25)10-19(16)26/h6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,34,35)
InChIKeyIYUYDJLUQXWZCF-UHFFFAOYSA-N
XLogP5.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.94
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid (CID 118561333) is 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid is CC(C(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3F)c2C1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is IYUYDJLUQXWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF4N3O3/c1-13(14-2-4-15(5-3-14)23(34)35)22(33)31-9-8-18-20(12-31)32(30-21(18)24(27,28)29)11-16-6-7-17(25)10-19(16)26/h6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,34,35).
What are the key properties of 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid?
4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 515.94 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).