(3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid

C24H23F4N3O3 — CID 140797159

About (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid

(3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid (PubChem CID 140797159) has the molecular formula C24H23F4N3O3 and a molecular weight of 477.46 g/mol. Its IUPAC name is (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
• PubChem CID: 140797159
• Molecular Formula: C24H23F4N3O3
• Molecular Weight: 477.46 g/mol
• Exact Mass: 477.17
• IUPAC Name: (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
• SMILES: O=C(O)C1C2C3C[C@@H]1C(CC(=O)N1CCc4c(C(F)(F)F)nn(Cc5ccc(F)cc5)c4C1)C32
• InChI: InChI=1S/C24H23F4N3O3/c25-12-3-1-11(2-4-12)9-31-17-10-30(6-5-13(17)22(29-31)24(26,27)28)18(32)8-15-14-7-16-19(15)20(16)21(14)23(33)34/h1-4,14-16,19-21H,5-10H2,(H,33,34)/t14-,15?,16?,19?,20?,21?/m1/s1
• InChIKey: CQBLDLNLNKAODA-KWOMZBNLSA-N
• XLogP: 3.58
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.46
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?

The IUPAC name of (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid (CID 140797159) is (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?

The canonical SMILES for (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid is O=C(O)C1C2C3C[C@@H]1C(CC(=O)N1CCc4c(C(F)(F)F)nn(Cc5ccc(F)cc5)c4C1)C32.

What is the InChIKey of (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?

The InChIKey is CQBLDLNLNKAODA-KWOMZBNLSA-N. The full InChI is InChI=1S/C24H23F4N3O3/c25-12-3-1-11(2-4-12)9-31-17-10-30(6-5-13(17)22(29-31)24(26,27)28)18(32)8-15-14-7-16-19(15)20(16)21(14)23(33)34/h1-4,14-16,19-21H,5-10H2,(H,33,34)/t14-,15?,16?,19?,20?,21?/m1/s1.

What are the key properties of (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?

(3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid has a molecular weight of 477.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-5-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid is sourced from PubChem (CID 140797159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).