(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H31FN4O5 — CID 167668403

About (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167668403) has the molecular formula C33H31FN4O5 and a molecular weight of 582.63 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167668403
• Molecular Formula: C33H31FN4O5
• Molecular Weight: 582.63 g/mol
• Exact Mass: 582.23
• IUPAC Name: (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CCC(=O)c1ccc(OC2CC2)c(-c2ccncn2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C33H31FN4O5/c1-32(31(35)40)17-42-30-24(32)16-28(38-29(30)19-3-6-21(34)7-4-19)33(2,41)13-11-26(39)20-5-10-27(43-22-8-9-22)23(15-20)25-12-14-36-18-37-25/h3-7,10,12,14-16,18,22,41H,8-9,11,13,17H2,1-2H3,(H2,35,40)/t32-,33-/m0/s1
• InChIKey: SYYCGAQWIOVPHJ-LQJZCPKCSA-N
• XLogP: 4.89
• TPSA: 137.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.63
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167668403) is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CCC(=O)c1ccc(OC2CC2)c(-c2ccncn2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

What is the InChIKey of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is SYYCGAQWIOVPHJ-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H31FN4O5/c1-32(31(35)40)17-42-30-24(32)16-28(38-29(30)19-3-6-21(34)7-4-19)33(2,41)13-11-26(39)20-5-10-27(43-22-8-9-22)23(15-20)25-12-14-36-18-37-25/h3-7,10,12,14-16,18,22,41H,8-9,11,13,17H2,1-2H3,(H2,35,40)/t32-,33-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 582.63 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167668403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).