5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide

C30H24F7N5O2 — CID 89350612

About 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 89350612) has the molecular formula C30H24F7N5O2 and a molecular weight of 619.54 g/mol. Its IUPAC name is 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 89350612
• Molecular Formula: C30H24F7N5O2
• Molecular Weight: 619.54 g/mol
• Exact Mass: 619.18
• IUPAC Name: 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)ccc1F
• InChI: InChI=1S/C30H24F7N5O2/c31-17-9-15(10-18(32)13-17)11-23(25-19(4-2-8-39-25)16-5-6-22(33)21(12-16)29(38)44)40-24(43)14-42-27-20(26(41-42)28(34)35)3-1-7-30(27,36)37/h2,4-6,8-10,12-13,23,28H,1,3,7,11,14H2,(H2,38,44)(H,40,43)
• InChIKey: MZGLCNZXVKKSKO-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.54
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide (CID 89350612) is 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)ccc1F.

What is the InChIKey of 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is MZGLCNZXVKKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F7N5O2/c31-17-9-15(10-18(32)13-17)11-23(25-19(4-2-8-39-25)16-5-6-22(33)21(12-16)29(38)44)40-24(43)14-42-27-20(26(41-42)28(34)35)3-1-7-30(27,36)37/h2,4-6,8-10,12-13,23,28H,1,3,7,11,14H2,(H2,38,44)(H,40,43).

What are the key properties of 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 619.54 g/mol, XLogP of 5.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[[2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 89350612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).