N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide

C28H26F5N3O4 — CID 165436709

About N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide

N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 165436709) has the molecular formula C28H26F5N3O4 and a molecular weight of 563.52 g/mol. Its IUPAC name is N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide
• PubChem CID: 165436709
• Molecular Formula: C28H26F5N3O4
• Molecular Weight: 563.52 g/mol
• Exact Mass: 563.18
• IUPAC Name: N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC(C)c2cc3c(c(-c4ccc(F)c(F)c4)n2)OC[C@@]3(N)C(F)(F)F)ccc1OC1CC1
• InChI: InChI=1S/C28H26F5N3O4/c1-14(12-35-26(37)16-4-8-22(23(10-16)38-2)40-17-5-6-17)21-11-18-25(39-13-27(18,34)28(31,32)33)24(36-21)15-3-7-19(29)20(30)9-15/h3-4,7-11,14,17H,5-6,12-13,34H2,1-2H3,(H,35,37)/t14?,27-/m0/s1
• InChIKey: SJKGBPYVNUEDMK-SYESMYBYSA-N
• XLogP: 5.22
• TPSA: 95.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide?

The IUPAC name of N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 165436709) is N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide.

What is the SMILES notation for N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide?

The canonical SMILES for N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1cc(C(=O)NCC(C)c2cc3c(c(-c4ccc(F)c(F)c4)n2)OC[C@@]3(N)C(F)(F)F)ccc1OC1CC1.

What is the InChIKey of N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide?

The InChIKey is SJKGBPYVNUEDMK-SYESMYBYSA-N. The full InChI is InChI=1S/C28H26F5N3O4/c1-14(12-35-26(37)16-4-8-22(23(10-16)38-2)40-17-5-6-17)21-11-18-25(39-13-27(18,34)28(31,32)33)24(36-21)15-3-7-19(29)20(30)9-15/h3-4,7-11,14,17H,5-6,12-13,34H2,1-2H3,(H,35,37)/t14?,27-/m0/s1.

What are the key properties of N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide?

N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 563.52 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]propyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 165436709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).