6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide

C28H24ClF3N8O2 — CID 162520266

About 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide (PubChem CID 162520266) has the molecular formula C28H24ClF3N8O2 and a molecular weight of 597.00 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide
• PubChem CID: 162520266
• Molecular Formula: C28H24ClF3N8O2
• Molecular Weight: 597.00 g/mol
• Exact Mass: 596.17
• IUPAC Name: 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide
• SMILES: Cc1ncc(-c2c(C(F)F)ccc(Cl)c2F)nc1C(=O)Nc1cnn(Cc2nnc(N3C[C@H]4C[C@H]4C3=O)c(C)c2C)c1
• InChI: InChI=1S/C28H24ClF3N8O2/c1-12-13(2)26(40-9-15-6-18(15)28(40)42)38-37-21(12)11-39-10-16(7-34-39)35-27(41)24-14(3)33-8-20(36-24)22-17(25(31)32)4-5-19(29)23(22)30/h4-5,7-8,10,15,18,25H,6,9,11H2,1-3H3,(H,35,41)/t15-,18-/m1/s1
• InChIKey: NHHYXMBQJKVFNB-CRAIPNDOSA-N
• XLogP: 5.07
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.00
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide?

The IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide (CID 162520266) is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide.

What is the SMILES notation for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide?

The canonical SMILES for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide is Cc1ncc(-c2c(C(F)F)ccc(Cl)c2F)nc1C(=O)Nc1cnn(Cc2nnc(N3C[C@H]4C[C@H]4C3=O)c(C)c2C)c1.

What is the InChIKey of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide?

The InChIKey is NHHYXMBQJKVFNB-CRAIPNDOSA-N. The full InChI is InChI=1S/C28H24ClF3N8O2/c1-12-13(2)26(40-9-15-6-18(15)28(40)42)38-37-21(12)11-39-10-16(7-34-39)35-27(41)24-14(3)33-8-20(36-24)22-17(25(31)32)4-5-19(29)23(22)30/h4-5,7-8,10,15,18,25H,6,9,11H2,1-3H3,(H,35,41)/t15-,18-/m1/s1.

What are the key properties of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide?

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide has a molecular weight of 597.00 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[[4,5-dimethyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]methyl]pyrazol-4-yl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 162520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).