4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide

C32H27F4N3O4 — CID 156809958

About 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide

4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide (PubChem CID 156809958) has the molecular formula C32H27F4N3O4 and a molecular weight of 593.58 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide
• PubChem CID: 156809958
• Molecular Formula: C32H27F4N3O4
• Molecular Weight: 593.58 g/mol
• Exact Mass: 593.19
• IUPAC Name: 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide
• SMILES: C[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2cccnc2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F
• InChI: InChI=1S/C32H27F4N3O4/c1-31(41,17-38-30(40)19-6-11-26(43-22-9-10-22)23(13-19)20-3-2-12-37-15-20)27-14-24-25(32(34,35)36)16-42-29(24)28(39-27)18-4-7-21(33)8-5-18/h2-8,11-15,22,25,41H,9-10,16-17H2,1H3,(H,38,40)/t25-,31+/m1/s1
• InChIKey: KZUIHBYEGQADOG-NJHZRGNWSA-N
• XLogP: 6.17
• TPSA: 93.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.58
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide?

The IUPAC name of 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide (CID 156809958) is 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide.

What is the SMILES notation for 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide?

The canonical SMILES for 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide is C[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2cccnc2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F.

What is the InChIKey of 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide?

The InChIKey is KZUIHBYEGQADOG-NJHZRGNWSA-N. The full InChI is InChI=1S/C32H27F4N3O4/c1-31(41,17-38-30(40)19-6-11-26(43-22-9-10-22)23(13-19)20-3-2-12-37-15-20)27-14-24-25(32(34,35)36)16-42-29(24)28(39-27)18-4-7-21(33)8-5-18/h2-8,11-15,22,25,41H,9-10,16-17H2,1H3,(H,38,40)/t25-,31+/m1/s1.

What are the key properties of 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide?

4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide has a molecular weight of 593.58 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyloxy-N-[(2S)-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 156809958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).