2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide

C27H26FN5O4 — CID 164740647

About 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide

2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide (PubChem CID 164740647) has the molecular formula C27H26FN5O4 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
• PubChem CID: 164740647
• Molecular Formula: C27H26FN5O4
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.20
• IUPAC Name: 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(N)=O)c1C[C@](C)(O)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)n1cnnc1
• InChI: InChI=1S/C27H26FN5O4/c1-26(33-14-30-31-15-33)13-37-24-20(26)11-22(32-23(24)16-7-9-17(28)10-8-16)27(2,35)12-19-18(25(29)34)5-4-6-21(19)36-3/h4-11,14-15,35H,12-13H2,1-3H3,(H2,29,34)/t26-,27-/m0/s1
• InChIKey: HAJQLSPYHSVYKV-SVBPBHIXSA-N
• XLogP: 3.19
• TPSA: 125.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The IUPAC name of 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide (CID 164740647) is 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide.

What is the SMILES notation for 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The canonical SMILES for 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide is COc1cccc(C(N)=O)c1C[C@](C)(O)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)n1cnnc1.

What is the InChIKey of 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The InChIKey is HAJQLSPYHSVYKV-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H26FN5O4/c1-26(33-14-30-31-15-33)13-37-24-20(26)11-22(32-23(24)16-7-9-17(28)10-8-16)27(2,35)12-19-18(25(29)34)5-4-6-21(19)36-3/h4-11,14-15,35H,12-13H2,1-3H3,(H2,29,34)/t26-,27-/m0/s1.

What are the key properties of 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide has a molecular weight of 503.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide is sourced from PubChem (CID 164740647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).