2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide

C65H60F8N8O5 — CID 144505101

About 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide

2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide (PubChem CID 144505101) has the molecular formula C65H60F8N8O5 and a molecular weight of 1185.23 g/mol. Its IUPAC name is 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide.

Molecular Properties

• Compound Name: 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide
• PubChem CID: 144505101
• Molecular Formula: C65H60F8N8O5
• Molecular Weight: 1185.23 g/mol
• Exact Mass: 1184.46
• IUPAC Name: 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide
• SMILES: CC(C)Oc1ccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.CNc1ccccc1C1(C=O)CC1C(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C)c1.NC=O
• InChI: InChI=1S/C32H28F6N4O2.C32H29F2N3O2.CH3NO/c1-16(2)44-21-7-5-18(6-8-21)22-4-3-9-39-28(22)25(12-17-10-19(33)13-20(34)11-17)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-20-7-5-8-22(13-20)25-9-6-12-36-30(25)29(16-21-14-23(33)17-24(34)15-21)37-31(39)27-18-32(27,19-38)26-10-3-4-11-28(26)35-2;2-1-3/h3-11,13,16,23-25,31H,12,14-15H2,1-2H3,(H,40,43);3-15,17,19,27,29,35H,16,18H2,1-2H3,(H,37,39);1H,(H2,2,3)
• InChIKey: BIXXDMMPYFUHHR-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 183.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.23
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide?

The IUPAC name of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide (CID 144505101) is 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide.

What is the SMILES notation for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide?

The canonical SMILES for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide is CC(C)Oc1ccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.CNc1ccccc1C1(C=O)CC1C(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C)c1.NC=O.

What is the InChIKey of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide?

The InChIKey is BIXXDMMPYFUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N4O2.C32H29F2N3O2.CH3NO/c1-16(2)44-21-7-5-18(6-8-21)22-4-3-9-39-28(22)25(12-17-10-19(33)13-20(34)11-17)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-20-7-5-8-22(13-20)25-9-6-12-36-30(25)29(16-21-14-23(33)17-24(34)15-21)37-31(39)27-18-32(27,19-38)26-10-3-4-11-28(26)35-2;2-1-3/h3-11,13,16,23-25,31H,12,14-15H2,1-2H3,(H,40,43);3-15,17,19,27,29,35H,16,18H2,1-2H3,(H,37,39);1H,(H2,2,3).

What are the key properties of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide?

2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide has a molecular weight of 1185.23 g/mol, XLogP of 12.29, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-formyl-2-[2-(methylamino)phenyl]cyclopropane-1-carboxamide;formamide is sourced from PubChem (CID 144505101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).