2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C24H22F4N4O2 — CID 146318356

About 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 146318356) has the molecular formula C24H22F4N4O2 and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
• PubChem CID: 146318356
• Molecular Formula: C24H22F4N4O2
• Molecular Weight: 474.46 g/mol
• Exact Mass: 474.17
• IUPAC Name: 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
• SMILES: O=C(Nc1cc(C(F)(F)F)[nH]n1)C(C1CC1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
• InChI: InChI=1S/C24H22F4N4O2/c25-12-3-4-17-16(7-12)18(5-6-29-17)34-13-8-14-15(9-13)22(14)21(11-1-2-11)23(33)30-20-10-19(31-32-20)24(26,27)28/h3-7,10-11,13-15,21-22H,1-2,8-9H2,(H2,30,31,32,33)/t13?,14-,15+,21?,22?
• InChIKey: OPCVNBRMGYTNQL-QYQBTMDXSA-N
• XLogP: 5.18
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.46
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 146318356) is 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is O=C(Nc1cc(C(F)(F)F)[nH]n1)C(C1CC1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.

What is the InChIKey of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The InChIKey is OPCVNBRMGYTNQL-QYQBTMDXSA-N. The full InChI is InChI=1S/C24H22F4N4O2/c25-12-3-4-17-16(7-12)18(5-6-29-17)34-13-8-14-15(9-13)22(14)21(11-1-2-11)23(33)30-20-10-19(31-32-20)24(26,27)28/h3-7,10-11,13-15,21-22H,1-2,8-9H2,(H2,30,31,32,33)/t13?,14-,15+,21?,22?.

What are the key properties of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 474.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 146318356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).