4-cyclopropyloxy-N-[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

C30H30FN5O5 — CID 167023662

About 4-cyclopropyloxy-N-[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

4-cyclopropyloxy-N-[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 167023662) has the molecular formula C30H30FN5O5 and a molecular weight of 559.60 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[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: 4-cyclopropyloxy-N-[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: 167023662
• Molecular Formula: C30H30FN5O5
• Molecular Weight: 559.60 g/mol
• Exact Mass: 559.22
• IUPAC Name: 4-cyclopropyloxy-N-[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: COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)ccc1OC1CC1
• InChI: InChI=1S/C30H30FN5O5/c1-29(36-16-33-34-17-36)15-40-27-22(29)13-25(35-26(27)18-4-7-20(31)8-5-18)30(2,38)14-32-28(37)19-6-11-23(24(12-19)39-3)41-21-9-10-21/h4-8,11-13,16-17,21,38H,9-10,14-15H2,1-3H3,(H,32,37)/t29-,30?/m0/s1
• InChIKey: ULHPXHCLTJRQQQ-UFXYQILXSA-N
• XLogP: 3.82
• TPSA: 120.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.60
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[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 4-cyclopropyloxy-N-[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 167023662) is 4-cyclopropyloxy-N-[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 4-cyclopropyloxy-N-[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 4-cyclopropyloxy-N-[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 COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)ccc1OC1CC1.

What is the InChIKey of 4-cyclopropyloxy-N-[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 ULHPXHCLTJRQQQ-UFXYQILXSA-N. The full InChI is InChI=1S/C30H30FN5O5/c1-29(36-16-33-34-17-36)15-40-27-22(29)13-25(35-26(27)18-4-7-20(31)8-5-18)30(2,38)14-32-28(37)19-6-11-23(24(12-19)39-3)41-21-9-10-21/h4-8,11-13,16-17,21,38H,9-10,14-15H2,1-3H3,(H,32,37)/t29-,30?/m0/s1.

What are the key properties of 4-cyclopropyloxy-N-[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?

4-cyclopropyloxy-N-[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 559.60 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyloxy-N-[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 167023662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).