8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C42H43FN10O7S — CID 164557066

About 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 164557066) has the molecular formula C42H43FN10O7S and a molecular weight of 850.93 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 164557066
• Molecular Formula: C42H43FN10O7S
• Molecular Weight: 850.93 g/mol
• Exact Mass: 850.30
• IUPAC Name: 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: N#Cc1cc2cnc(NC3CCN(S(=O)(=O)c4cccc(CN5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)c4)CC3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C42H43FN10O7S/c43-33-20-31-32(41(58)53(40(31)57)34-8-9-36(54)47-38(34)55)21-35(33)50-16-14-49(15-17-50)24-25-4-3-7-30(18-25)61(59,60)51-12-10-28(11-13-51)46-42-45-23-27-19-26(22-44)39(56)52(37(27)48-42)29-5-1-2-6-29/h3-4,7,18-21,23,28-29,34H,1-2,5-6,8-17,24H2,(H,45,46,48)(H,47,54,55)
• InChIKey: FZWIPCJDAWNZIG-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 211.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.93
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 164557066) is 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cnc(NC3CCN(S(=O)(=O)c4cccc(CN5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)c4)CC3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is FZWIPCJDAWNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN10O7S/c43-33-20-31-32(41(58)53(40(31)57)34-8-9-36(54)47-38(34)55)21-35(33)50-16-14-49(15-17-50)24-25-4-3-7-30(18-25)61(59,60)51-12-10-28(11-13-51)46-42-45-23-27-19-26(22-44)39(56)52(37(27)48-42)29-5-1-2-6-29/h3-4,7,18-21,23,28-29,34H,1-2,5-6,8-17,24H2,(H,45,46,48)(H,47,54,55).

What are the key properties of 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 850.93 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[[1-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164557066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).