7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C43H55N9O3 — CID 178060746

IUPAC7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(N(C)c3ccc(N4CCC(N5CCC(CCc6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C43H55N9O3/c1-48(2)42(55)37-26-32-27-45-43(47-40(32)52(37)34-6-4-5-7-34)49(3)38-16-14-35(28-44-38)51-24-20-33(21-25-51)50-22-18-30(19-23-50)9-8-29-10-12-31(13-11-29)36-15-17-39(53)46-41(36)54/h10-14,16,26-28,30,33-34,36H,4-9,15,17-25H2,1-3H3,(H,46,53,54)
InChIKeyJLPFTQWDUAZQBU-UHFFFAOYSA-N
MW745.97 g/mol
LogP6.24
Rot. Bonds10

About 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178060746) has the molecular formula C43H55N9O3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID178060746
Molecular FormulaC43H55N9O3
Molecular Weight745.97 g/mol
Exact Mass745.44
IUPAC Name7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(N(C)c3ccc(N4CCC(N5CCC(CCc6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C43H55N9O3/c1-48(2)42(55)37-26-32-27-45-43(47-40(32)52(37)34-6-4-5-7-34)49(3)38-16-14-35(28-44-38)51-24-20-33(21-25-51)50-22-18-30(19-23-50)9-8-29-10-12-31(13-11-29)36-15-17-39(53)46-41(36)54/h10-14,16,26-28,30,33-34,36H,4-9,15,17-25H2,1-3H3,(H,46,53,54)
InChIKeyJLPFTQWDUAZQBU-UHFFFAOYSA-N
XLogP6.24
TPSA119.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178060746) is 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(N(C)c3ccc(N4CCC(N5CCC(CCc6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JLPFTQWDUAZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55N9O3/c1-48(2)42(55)37-26-32-27-45-43(47-40(32)52(37)34-6-4-5-7-34)49(3)38-16-14-35(28-44-38)51-24-20-33(21-25-51)50-22-18-30(19-23-50)9-8-29-10-12-31(13-11-29)36-15-17-39(53)46-41(36)54/h10-14,16,26-28,30,33-34,36H,4-9,15,17-25H2,1-3H3,(H,46,53,54).
What are the key properties of 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 745.97 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-1-yl]piperidin-1-yl]-2-pyridinyl]-methylamino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178060746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).