N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide

C24H26F6N4O4 — CID 155115991

About N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide

N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide (PubChem CID 155115991) has the molecular formula C24H26F6N4O4 and a molecular weight of 548.48 g/mol. Its IUPAC name is N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide.

Molecular Properties

• Compound Name: N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide
• PubChem CID: 155115991
• Molecular Formula: C24H26F6N4O4
• Molecular Weight: 548.48 g/mol
• Exact Mass: 548.19
• IUPAC Name: N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide
• SMILES: O=C(COC(F)(F)F)Nc1c2c(nn1CCC1CC1)C[C@H](CCc1cccc(OCC(F)(F)F)c1)NC2=O
• InChI: InChI=1S/C24H26F6N4O4/c25-23(26,27)13-37-17-3-1-2-15(10-17)6-7-16-11-18-20(22(36)31-16)21(32-19(35)12-38-24(28,29)30)34(33-18)9-8-14-4-5-14/h1-3,10,14,16H,4-9,11-13H2,(H,31,36)(H,32,35)/t16-/m0/s1
• InChIKey: MJXQSNKGRZJGKX-INIZCTEOSA-N
• XLogP: 4.39
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.48
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide?

The IUPAC name of N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide (CID 155115991) is N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide.

What is the SMILES notation for N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide?

The canonical SMILES for N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide is O=C(COC(F)(F)F)Nc1c2c(nn1CCC1CC1)C[C@H](CCc1cccc(OCC(F)(F)F)c1)NC2=O.

What is the InChIKey of N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide?

The InChIKey is MJXQSNKGRZJGKX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26F6N4O4/c25-23(26,27)13-37-17-3-1-2-15(10-17)6-7-16-11-18-20(22(36)31-16)21(32-19(35)12-38-24(28,29)30)34(33-18)9-8-14-4-5-14/h1-3,10,14,16H,4-9,11-13H2,(H,31,36)(H,32,35)/t16-/m0/s1.

What are the key properties of N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide?

N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide has a molecular weight of 548.48 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide is sourced from PubChem (CID 155115991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).