(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H29FN6O5 — CID 167576788

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167576788) has the molecular formula C33H29FN6O5 and a molecular weight of 608.63 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167576788
• Molecular Formula: C33H29FN6O5
• Molecular Weight: 608.63 g/mol
• Exact Mass: 608.22
• IUPAC Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1cnc2c(Oc3ncccn3)cc(C(=O)NC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1
• InChI: InChI=1S/C33H29FN6O5/c1-18-11-20-12-21(13-24(26(20)38-15-18)45-31-36-9-4-10-37-31)29(41)39-16-33(3,43)25-14-23-28(44-17-32(23,2)30(35)42)27(40-25)19-5-7-22(34)8-6-19/h4-15,43H,16-17H2,1-3H3,(H2,35,42)(H,39,41)/t32-,33-/m0/s1
• InChIKey: GQHFGSJWEKCOQZ-LQJZCPKCSA-N
• XLogP: 4.10
• TPSA: 162.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.63
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167576788) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(Oc3ncccn3)cc(C(=O)NC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is GQHFGSJWEKCOQZ-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H29FN6O5/c1-18-11-20-12-21(13-24(26(20)38-15-18)45-31-36-9-4-10-37-31)29(41)39-16-33(3,43)25-14-23-28(44-17-32(23,2)30(35)42)27(40-25)19-5-7-22(34)8-6-19/h4-15,43H,16-17H2,1-3H3,(H2,35,42)(H,39,41)/t32-,33-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 608.63 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167576788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).