7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O2 — CID 53377722

IUPAC7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)ccc1C(=O)N1CC2CCC(C1)N2
InChIInChI=1S/C27H34N8O2/c1-16-21(25(36)34-14-18-8-9-19(15-34)30-18)10-11-23(29-16)31-27-28-13-17-12-22(26(37)33(2)3)35(24(17)32-27)20-6-4-5-7-20/h10-13,18-20,30H,4-9,14-15H2,1-3H3,(H,28,29,31,32)
InChIKeySOBQJDMKGXGEQA-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.27
Rot. Bonds5

About 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53377722) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID53377722
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC Name7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)ccc1C(=O)N1CC2CCC(C1)N2
InChIInChI=1S/C27H34N8O2/c1-16-21(25(36)34-14-18-8-9-19(15-34)30-18)10-11-23(29-16)31-27-28-13-17-12-22(26(37)33(2)3)35(24(17)32-27)20-6-4-5-7-20/h10-13,18-20,30H,4-9,14-15H2,1-3H3,(H,28,29,31,32)
InChIKeySOBQJDMKGXGEQA-UHFFFAOYSA-N
XLogP3.27
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-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-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 53377722) is 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1nc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)ccc1C(=O)N1CC2CCC(C1)N2.
What is the InChIKey of 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SOBQJDMKGXGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-16-21(25(36)34-14-18-8-9-19(15-34)30-18)10-11-23(29-16)31-27-28-13-17-12-22(26(37)33(2)3)35(24(17)32-27)20-6-4-5-7-20/h10-13,18-20,30H,4-9,14-15H2,1-3H3,(H,28,29,31,32).
What are the key properties of 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-6-methyl-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53377722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).