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

C40H46N10O4 — CID 178005670

IUPAC7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C4CN(C5CN(c6cccc7c6C(C)(C)C(=O)N7C6CCC(=O)NC6=O)C5)C4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C40H46N10O4/c1-40(2)34-28(10-7-11-29(34)50(38(40)54)30-13-15-33(51)44-36(30)52)48-21-27(22-48)47-19-25(20-47)23-12-14-32(41-17-23)43-39-42-18-24-16-31(37(53)46(3)4)49(35(24)45-39)26-8-5-6-9-26/h7,10-12,14,16-18,25-27,30H,5-6,8-9,13,15,19-22H2,1-4H3,(H,44,51,52)(H,41,42,43,45)
InChIKeyJPISYAVWQCVBCJ-UHFFFAOYSA-N
MW730.87 g/mol
LogP4.10
Rot. Bonds8

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

7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178005670) has the molecular formula C40H46N10O4 and a molecular weight of 730.87 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID178005670
Molecular FormulaC40H46N10O4
Molecular Weight730.87 g/mol
Exact Mass730.37
IUPAC Name7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C4CN(C5CN(c6cccc7c6C(C)(C)C(=O)N7C6CCC(=O)NC6=O)C5)C4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C40H46N10O4/c1-40(2)34-28(10-7-11-29(34)50(38(40)54)30-13-15-33(51)44-36(30)52)48-21-27(22-48)47-19-25(20-47)23-12-14-32(41-17-23)43-39-42-18-24-16-31(37(53)46(3)4)49(35(24)45-39)26-8-5-6-9-26/h7,10-12,14,16-18,25-27,30H,5-6,8-9,13,15,19-22H2,1-4H3,(H,44,51,52)(H,41,42,43,45)
InChIKeyJPISYAVWQCVBCJ-UHFFFAOYSA-N
XLogP4.10
TPSA148.90 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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
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-[[5-[4-[1-(3,3-dimethyl-2-oxo-1H-indol-4-yl)azetidin-3-yl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005558
7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170378193
7-cyclopentyl-2-[[5-[4-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]cyclohexyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586404
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-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586334
7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586028
7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586449
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-[[5-[5-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-2-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005292
2-[[5-[3-[4-[3-amino-2-[(2,6-dioxopiperidine-3-carbonyl)-methylamino]-4-fluorophenyl]piperazin-1-yl]azetidin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005394

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178005670) is 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CN(C5CN(c6cccc7c6C(C)(C)C(=O)N7C6CCC(=O)NC6=O)C5)C4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JPISYAVWQCVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N10O4/c1-40(2)34-28(10-7-11-29(34)50(38(40)54)30-13-15-33(51)44-36(30)52)48-21-27(22-48)47-19-25(20-47)23-12-14-32(41-17-23)43-39-42-18-24-16-31(37(53)46(3)4)49(35(24)45-39)26-8-5-6-9-26/h7,10-12,14,16-18,25-27,30H,5-6,8-9,13,15,19-22H2,1-4H3,(H,44,51,52)(H,41,42,43,45).
What are the key properties of 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 730.87 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[1-[1-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]azetidin-3-yl]azetidin-3-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178005670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).