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

C34H30F4N4O5 — CID 167599373

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

(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167599373) has the molecular formula C34H30F4N4O5 and a molecular weight of 650.63 g/mol. Its IUPAC name is (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167599373
• Molecular Formula: C34H30F4N4O5
• Molecular Weight: 650.63 g/mol
• Exact Mass: 650.22
• IUPAC Name: (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2ccc(C(F)(F)F)cn2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C34H30F4N4O5/c1-32(31(39)44)17-46-29-24(32)14-27(42-28(29)18-3-7-21(35)8-4-18)33(2,45)16-41-30(43)19-5-12-26(47-22-9-10-22)23(13-19)25-11-6-20(15-40-25)34(36,37)38/h3-8,11-15,22,45H,9-10,16-17H2,1-2H3,(H2,39,44)(H,41,43)/t32-,33-/m0/s1
• InChIKey: JNBAYPBRCLRZSL-LQJZCPKCSA-N
• XLogP: 5.28
• TPSA: 136.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.63
LogP ≤ 5	5.28
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-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167599373) is (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2ccc(C(F)(F)F)cn2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

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

The InChIKey is JNBAYPBRCLRZSL-LQJZCPKCSA-N. The full InChI is InChI=1S/C34H30F4N4O5/c1-32(31(39)44)17-46-29-24(32)14-27(42-28(29)18-3-7-21(35)8-4-18)33(2,45)16-41-30(43)19-5-12-26(47-22-9-10-22)23(13-19)25-11-6-20(15-40-25)34(36,37)38/h3-8,11-15,22,45H,9-10,16-17H2,1-2H3,(H2,39,44)(H,41,43)/t32-,33-/m0/s1.

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

(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 650.63 g/mol, XLogP of 5.28, 9 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-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167599373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).