N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene

C36H35ClF8N8O2S — CID 144668155

About N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene

N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene (PubChem CID 144668155) has the molecular formula C36H35ClF8N8O2S and a molecular weight of 831.23 g/mol. Its IUPAC name is N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene.

Molecular Properties

• Compound Name: N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene
• PubChem CID: 144668155
• Molecular Formula: C36H35ClF8N8O2S
• Molecular Weight: 831.23 g/mol
• Exact Mass: 830.22
• IUPAC Name: N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene
• SMILES: CC=CCC(F)F.Cn1nc(NS(C)=O)c2c(Cl)ccc(-c3cc(N)cnc3C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CC4)c21
• InChI: InChI=1S/C31H27ClF6N8O2S.C5H8F2/c1-45-27-18(3-4-21(32)24(27)30(43-45)44-49(2)48)20-11-17(39)12-40-25(20)22(9-14-7-15(33)10-16(34)8-14)41-23(47)13-46-28-19(5-6-31(28,37)38)26(42-46)29(35)36;1-2-3-4-5(6)7/h3-4,7-8,10-12,22,29H,5-6,9,13,39H2,1-2H3,(H,41,47)(H,43,44);2-3,5H,4H2,1H3
• InChIKey: KAHVUZRUTFMZPN-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 132.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.23
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene?

The IUPAC name of N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene (CID 144668155) is N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene.

What is the SMILES notation for N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene?

The canonical SMILES for N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene is CC=CCC(F)F.Cn1nc(NS(C)=O)c2c(Cl)ccc(-c3cc(N)cnc3C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CC4)c21.

What is the InChIKey of N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene?

The InChIKey is KAHVUZRUTFMZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClF6N8O2S.C5H8F2/c1-45-27-18(3-4-21(32)24(27)30(43-45)44-49(2)48)20-11-17(39)12-40-25(20)22(9-14-7-15(33)10-16(34)8-14)41-23(47)13-46-28-19(5-6-31(28,37)38)26(42-46)29(35)36;1-2-3-4-5(6)7/h3-4,7-8,10-12,22,29H,5-6,9,13,39H2,1-2H3,(H,41,47)(H,43,44);2-3,5H,4H2,1H3.

What are the key properties of N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene?

N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene has a molecular weight of 831.23 g/mol, XLogP of 8.34, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-amino-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide;5,5-difluoropent-2-ene is sourced from PubChem (CID 144668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).