7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C40H44N10O4 — CID 178005632

IUPAC7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CN(c4ccc6c(=O)n(C7CCC(=O)NC7=O)ccc6c4)C5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C40H44N10O4/c1-46(2)38(54)32-20-26-21-42-39(45-35(26)50(32)27-5-3-4-6-27)43-33-11-8-29(22-41-33)47-17-14-40(15-18-47)23-48(24-40)28-7-9-30-25(19-28)13-16-49(37(30)53)31-10-12-34(51)44-36(31)52/h7-9,11,13,16,19-22,27,31H,3-6,10,12,14-15,17-18,23-24H2,1-2H3,(H,44,51,52)(H,41,42,43,45)
InChIKeyKLBDRUQBKHYYME-UHFFFAOYSA-N
MW728.86 g/mol
LogP4.79
Rot. Bonds7

About 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178005632) has the molecular formula C40H44N10O4 and a molecular weight of 728.86 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID178005632
Molecular FormulaC40H44N10O4
Molecular Weight728.86 g/mol
Exact Mass728.35
IUPAC Name7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CN(c4ccc6c(=O)n(C7CCC(=O)NC7=O)ccc6c4)C5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C40H44N10O4/c1-46(2)38(54)32-20-26-21-42-39(45-35(26)50(32)27-5-3-4-6-27)43-33-11-8-29(22-41-33)47-17-14-40(15-18-47)23-48(24-40)28-7-9-30-25(19-28)13-16-49(37(30)53)31-10-12-34(51)44-36(31)52/h7-9,11,13,16,19-22,27,31H,3-6,10,12,14-15,17-18,23-24H2,1-2H3,(H,44,51,52)(H,41,42,43,45)
InChIKeyKLBDRUQBKHYYME-UHFFFAOYSA-N
XLogP4.79
TPSA150.59 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide
CID 178005547
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-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
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-[[8-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005821
7-cyclopentyl-2-[[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005232
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
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005481
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
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178005632) is 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CN(c4ccc6c(=O)n(C7CCC(=O)NC7=O)ccc6c4)C5)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KLBDRUQBKHYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N10O4/c1-46(2)38(54)32-20-26-21-42-39(45-35(26)50(32)27-5-3-4-6-27)43-33-11-8-29(22-41-33)47-17-14-40(15-18-47)23-48(24-40)28-7-9-30-25(19-28)13-16-49(37(30)53)31-10-12-34(51)44-36(31)52/h7-9,11,13,16,19-22,27,31H,3-6,10,12,14-15,17-18,23-24H2,1-2H3,(H,44,51,52)(H,41,42,43,45).
What are the key properties of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 728.86 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178005632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).