3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C50H60F2N10O7 — CID 154690634

About 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 154690634) has the molecular formula C50H60F2N10O7 and a molecular weight of 951.09 g/mol. Its IUPAC name is 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 154690634
• Molecular Formula: C50H60F2N10O7
• Molecular Weight: 951.09 g/mol
• Exact Mass: 950.46
• IUPAC Name: 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CNC(=O)N1CCc2c(c(C3CCCc4cc(-c5cnn(CCNC(=O)CCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C50H60F2N10O7/c1-53-50(68)59-21-16-40-38(29-59)45(58-62(40)32-17-23-69-24-18-32)33-10-7-9-30-25-35(37(46(51)52)26-36(30)33)31-27-56-60(28-31)22-20-55-42(63)13-5-3-2-4-6-19-54-39-12-8-11-34-44(39)49(67)61(48(34)66)41-14-15-43(64)57-47(41)65/h8,11-12,25-28,32-33,41,46,54H,2-7,9-10,13-24,29H2,1H3,(H,53,68)(H,55,63)(H,57,64,65)
• InChIKey: GFZUQKWBGRIDQB-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 201.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.09
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 154690634) is 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(C3CCCc4cc(-c5cnn(CCNC(=O)CCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is GFZUQKWBGRIDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60F2N10O7/c1-53-50(68)59-21-16-40-38(29-59)45(58-62(40)32-17-23-69-24-18-32)33-10-7-9-30-25-35(37(46(51)52)26-36(30)33)31-27-56-60(28-31)22-20-55-42(63)13-5-3-2-4-6-19-54-39-12-8-11-34-44(39)49(67)61(48(34)66)41-14-15-43(64)57-47(41)65/h8,11-12,25-28,32-33,41,46,54H,2-7,9-10,13-24,29H2,1H3,(H,53,68)(H,55,63)(H,57,64,65).

What are the key properties of 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 951.09 g/mol, XLogP of 6.17, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(difluoromethyl)-6-[1-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 154690634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).