N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide

C33H33ClFN7O5 — CID 168870743

About N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide

N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 168870743) has the molecular formula C33H33ClFN7O5 and a molecular weight of 662.12 g/mol. Its IUPAC name is N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 168870743
• Molecular Formula: C33H33ClFN7O5
• Molecular Weight: 662.12 g/mol
• Exact Mass: 661.22
• IUPAC Name: N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide
• SMILES: CC1(C)Cc2c(-c3cc(NC(=O)C4CCN(Cc5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)ncc3Cl)cnn2C1
• InChI: InChI=1S/C33H33ClFN7O5/c1-33(2)12-26-22(13-37-41(26)16-33)19-11-27(36-14-23(19)34)38-29(44)17-5-7-40(8-6-17)15-18-9-20-21(10-24(18)35)32(47)42(31(20)46)25-3-4-28(43)39-30(25)45/h9-11,13-14,17,25H,3-8,12,15-16H2,1-2H3,(H,36,38,44)(H,39,43,45)
• InChIKey: DFTAETAOBBYCMB-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 146.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.12
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide (CID 168870743) is N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide is CC1(C)Cc2c(-c3cc(NC(=O)C4CCN(Cc5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)ncc3Cl)cnn2C1.

What is the InChIKey of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide?

The InChIKey is DFTAETAOBBYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClFN7O5/c1-33(2)12-26-22(13-37-41(26)16-33)19-11-27(36-14-23(19)34)38-29(44)17-5-7-40(8-6-17)15-18-9-20-21(10-24(18)35)32(47)42(31(20)46)25-3-4-28(43)39-30(25)45/h9-11,13-14,17,25H,3-8,12,15-16H2,1-2H3,(H,36,38,44)(H,39,43,45).

What are the key properties of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide?

N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 662.12 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 168870743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).