(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide

C34H38FN3O6 — CID 167665389

About (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167665389) has the molecular formula C34H38FN3O6 and a molecular weight of 603.69 g/mol. Its IUPAC name is (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167665389
• Molecular Formula: C34H38FN3O6
• Molecular Weight: 603.69 g/mol
• Exact Mass: 603.27
• IUPAC Name: (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)NC2(C)CCC2)ccc1OC1CC1
• InChI: InChI=1S/C34H38FN3O6/c1-32(14-5-15-32)38-31(40)33(2)19-43-29-24(33)17-27(37-28(29)20-6-9-22(35)10-7-20)34(3,41)18-36-30(39)21-8-13-25(26(16-21)42-4)44-23-11-12-23/h6-10,13,16-17,23,41H,5,11-12,14-15,18-19H2,1-4H3,(H,36,39)(H,38,40)/t33-,34-/m0/s1
• InChIKey: BHMDAOATDJFIEI-HEVIKAOCSA-N
• XLogP: 4.78
• TPSA: 119.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.69
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167665389) is (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)NC2(C)CCC2)ccc1OC1CC1.

What is the InChIKey of (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is BHMDAOATDJFIEI-HEVIKAOCSA-N. The full InChI is InChI=1S/C34H38FN3O6/c1-32(14-5-15-32)38-31(40)33(2)19-43-29-24(33)17-27(37-28(29)20-6-9-22(35)10-7-20)34(3,41)18-36-30(39)21-8-13-25(26(16-21)42-4)44-23-11-12-23/h6-10,13,16-17,23,41H,5,11-12,14-15,18-19H2,1-4H3,(H,36,39)(H,38,40)/t33-,34-/m0/s1.

What are the key properties of (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 603.69 g/mol, XLogP of 4.78, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167665389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).