7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C42H46N10O6 — CID 178155511

IUPAC7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C42H46N10O6/c1-47(2)41(58)34-19-27-21-43-42(46-36(27)51(34)29-5-3-4-6-29)44-28-9-7-26(8-10-28)38(55)50-23-25(24-50)22-48-15-17-49(18-16-48)30-11-12-31-32(20-30)40(57)52(39(31)56)33-13-14-35(53)45-37(33)54/h7-12,19-21,25,29,33H,3-6,13-18,22-24H2,1-2H3,(H,43,44,46)(H,45,53,54)
InChIKeyIOUUYDDDZOLYEV-UHFFFAOYSA-N
MW786.89 g/mol
LogP3.29
Rot. Bonds9

About 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178155511) has the molecular formula C42H46N10O6 and a molecular weight of 786.89 g/mol. Its IUPAC name is 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID178155511
Molecular FormulaC42H46N10O6
Molecular Weight786.89 g/mol
Exact Mass786.36
IUPAC Name7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C42H46N10O6/c1-47(2)41(58)34-19-27-21-43-42(46-36(27)51(34)29-5-3-4-6-29)44-28-9-7-26(8-10-28)38(55)50-23-25(24-50)22-48-15-17-49(18-16-48)30-11-12-31-32(20-30)40(57)52(39(31)56)33-13-14-35(53)45-37(33)54/h7-12,19-21,25,29,33H,3-6,13-18,22-24H2,1-2H3,(H,43,44,46)(H,45,53,54)
InChIKeyIOUUYDDDZOLYEV-UHFFFAOYSA-N
XLogP3.29
TPSA173.39 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-2-[[5-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 156789716
7-cyclopentyl-2-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]prop-2-ynyl]piperazine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155504
7-cyclopentyl-2-[[5-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 154595384
7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane
CID 178005217
7-cyclopentyl-2-[4-[2-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586152
5-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176736895
7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen
CID 166112909
7-cyclopentyl-2-[[5-[4-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 138498330
7-cyclopentyl-2-[[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 155229331
7-cyclopentyl-2-[4-[2-[4-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]piperidin-1-yl]ethoxy]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170377479
7-cyclopentyl-2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-4-yl]piperidin-1-yl]ethylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586487
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 164865469

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178155511) is 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IOUUYDDDZOLYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N10O6/c1-47(2)41(58)34-19-27-21-43-42(46-36(27)51(34)29-5-3-4-6-29)44-28-9-7-26(8-10-28)38(55)50-23-25(24-50)22-48-15-17-49(18-16-48)30-11-12-31-32(20-30)40(57)52(39(31)56)33-13-14-35(53)45-37(33)54/h7-12,19-21,25,29,33H,3-6,13-18,22-24H2,1-2H3,(H,43,44,46)(H,45,53,54).
What are the key properties of 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 786.89 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidine-1-carbonyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178155511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).