6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid

C29H27F6N3O5S2 — CID 71610640

About 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid

6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid (PubChem CID 71610640) has the molecular formula C29H27F6N3O5S2 and a molecular weight of 675.67 g/mol. Its IUPAC name is 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid
• PubChem CID: 71610640
• Molecular Formula: C29H27F6N3O5S2
• Molecular Weight: 675.67 g/mol
• Exact Mass: 675.13
• IUPAC Name: 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid
• SMILES: CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1Cc2sccc2CC1C(=O)O
• InChI: InChI=1S/C29H27F6N3O5S2/c1-2-5-21-27(43-17-13-22(45-15-17)29(33,34)35,26(42)38-14-20-16(7-11-44-20)12-19(38)25(40)41)8-4-10-37(21)24(39)23-18(28(30,31)32)6-3-9-36-23/h3,6-7,9,11,13,15,19,21H,2,4-5,8,10,12,14H2,1H3,(H,40,41)/t19?,21-,27+/m1/s1
• InChIKey: DEIFEDWOERNOFX-HAPXSTRYSA-N
• XLogP: 6.50
• TPSA: 100.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.67
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid?

The IUPAC name of 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid (CID 71610640) is 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid.

What is the SMILES notation for 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid?

The canonical SMILES for 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid is CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1Cc2sccc2CC1C(=O)O.

What is the InChIKey of 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid?

The InChIKey is DEIFEDWOERNOFX-HAPXSTRYSA-N. The full InChI is InChI=1S/C29H27F6N3O5S2/c1-2-5-21-27(43-17-13-22(45-15-17)29(33,34)35,26(42)38-14-20-16(7-11-44-20)12-19(38)25(40)41)8-4-10-37(21)24(39)23-18(28(30,31)32)6-3-9-36-23/h3,6-7,9,11,13,15,19,21H,2,4-5,8,10,12,14H2,1H3,(H,40,41)/t19?,21-,27+/m1/s1.

What are the key properties of 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid?

6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 675.67 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 71610640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).