7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C43H52N10O4 — CID 178005746

About 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178005746) has the molecular formula C43H52N10O4 and a molecular weight of 772.95 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 178005746
• Molecular Formula: C43H52N10O4
• Molecular Weight: 772.95 g/mol
• Exact Mass: 772.42
• IUPAC Name: 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CCN(c4cccc6c4C(C)(C)C(=O)N6C4CCC(=O)NC4=O)CC5)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C43H52N10O4/c1-42(2)36-30(10-7-11-31(36)53(40(42)57)32-13-15-35(54)47-38(32)55)51-22-18-43(19-23-51)16-20-50(21-17-43)29-12-14-34(44-26-29)46-41-45-25-27-24-33(39(56)49(3)4)52(37(27)48-41)28-8-5-6-9-28/h7,10-12,14,24-26,28,32H,5-6,8-9,13,15-23H2,1-4H3,(H,47,54,55)(H,44,45,46,48)
• InChIKey: IFYXFYHTHXELOD-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 148.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.95
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178005746) is 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CCN(c4cccc6c4C(C)(C)C(=O)N6C4CCC(=O)NC4=O)CC5)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is IFYXFYHTHXELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N10O4/c1-42(2)36-30(10-7-11-31(36)53(40(42)57)32-13-15-35(54)47-38(32)55)51-22-18-43(19-23-51)16-20-50(21-17-43)29-12-14-34(44-26-29)46-41-45-25-27-24-33(39(56)49(3)4)52(37(27)48-41)28-8-5-6-9-28/h7,10-12,14,24-26,28,32H,5-6,8-9,13,15-23H2,1-4H3,(H,47,54,55)(H,44,45,46,48).

What are the key properties of 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 772.95 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178005746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).