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

C28H24ClF3N8O3 — CID 162520300

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

6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 162520300) has the molecular formula C28H24ClF3N8O3 and a molecular weight of 613.00 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• PubChem CID: 162520300
• Molecular Formula: C28H24ClF3N8O3
• Molecular Weight: 613.00 g/mol
• Exact Mass: 612.16
• IUPAC Name: 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1cc([C@H](C)n2cc(NC(=O)c3nc(-c4c(OC(F)F)ccc(Cl)c4F)cnc3C)cn2)nnc1N1C[C@H]2C[C@H]2C1=O
• InChI: InChI=1S/C28H24ClF3N8O3/c1-12-6-19(37-38-25(12)39-10-15-7-17(15)27(39)42)14(3)40-11-16(8-34-40)35-26(41)24-13(2)33-9-20(36-24)22-21(43-28(31)32)5-4-18(29)23(22)30/h4-6,8-9,11,14-15,17,28H,7,10H2,1-3H3,(H,35,41)/t14-,15+,17+/m0/s1
• InChIKey: ZOIAMJPHWFPPNK-ZMSDIMECSA-N
• XLogP: 4.99
• TPSA: 128.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.00
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 162520300) is 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is Cc1cc([C@H](C)n2cc(NC(=O)c3nc(-c4c(OC(F)F)ccc(Cl)c4F)cnc3C)cn2)nnc1N1C[C@H]2C[C@H]2C1=O.

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

The InChIKey is ZOIAMJPHWFPPNK-ZMSDIMECSA-N. The full InChI is InChI=1S/C28H24ClF3N8O3/c1-12-6-19(37-38-25(12)39-10-15-7-17(15)27(39)42)14(3)40-11-16(8-34-40)35-26(41)24-13(2)33-9-20(36-24)22-21(43-28(31)32)5-4-18(29)23(22)30/h4-6,8-9,11,14-15,17,28H,7,10H2,1-3H3,(H,35,41)/t14-,15+,17+/m0/s1.

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

6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 613.00 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-3-methyl-N-[1-[(1S)-1-[5-methyl-6-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyridazin-3-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162520300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).