(3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C34H33FN4O5 — CID 167605785

About (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167605785) has the molecular formula C34H33FN4O5 and a molecular weight of 596.66 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-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-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167605785
• Molecular Formula: C34H33FN4O5
• Molecular Weight: 596.66 g/mol
• Exact Mass: 596.24
• IUPAC Name: (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1cnc2c(NC(=O)C3CC3)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1
• InChI: InChI=1S/C34H33FN4O5/c1-18-12-22-13-21(14-25(28(22)37-16-18)38-31(41)20-4-5-20)26(40)10-11-34(3,43)27-15-24-30(44-17-33(24,2)32(36)42)29(39-27)19-6-8-23(35)9-7-19/h6-9,12-16,20,43H,4-5,10-11,17H2,1-3H3,(H2,36,42)(H,38,41)/t33-,34-/m0/s1
• InChIKey: KIZKTXNBGYBRIT-HEVIKAOCSA-N
• XLogP: 5.10
• TPSA: 144.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.66
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-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-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167605785) is (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-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-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-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-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(NC(=O)C3CC3)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1.

What is the InChIKey of (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is KIZKTXNBGYBRIT-HEVIKAOCSA-N. The full InChI is InChI=1S/C34H33FN4O5/c1-18-12-22-13-21(14-25(28(22)37-16-18)38-31(41)20-4-5-20)26(40)10-11-34(3,43)27-15-24-30(44-17-33(24,2)32(36)42)29(39-27)19-6-8-23(35)9-7-19/h6-9,12-16,20,43H,4-5,10-11,17H2,1-3H3,(H2,36,42)(H,38,41)/t33-,34-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 596.66 g/mol, XLogP of 5.10, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167605785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).