7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O3 — CID 67355856

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5COCC(C4)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O3/c1-33(2)26(37)22-11-18-13-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-8-7-17(12-28-23)25(36)34-10-9-19-15-38-16-20(14-34)30-19/h7-8,11-13,19-21,30H,3-6,9-10,14-16H2,1-2H3,(H,28,29,31,32)
InChIKeyCPPBJYRMEXUZEP-UHFFFAOYSA-N
MW518.62 g/mol
LogP2.59
Rot. Bonds5

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355856) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67355856
Molecular FormulaC27H34N8O3
Molecular Weight518.62 g/mol
Exact Mass518.28
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5COCC(C4)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O3/c1-33(2)26(37)22-11-18-13-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-8-7-17(12-28-23)25(36)34-10-9-19-15-38-16-20(14-34)30-19/h7-8,11-13,19-21,30H,3-6,9-10,14-16H2,1-2H3,(H,28,29,31,32)
InChIKeyCPPBJYRMEXUZEP-UHFFFAOYSA-N
XLogP2.59
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355856) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5COCC(C4)N5)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CPPBJYRMEXUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-33(2)26(37)22-11-18-13-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-8-7-17(12-28-23)25(36)34-10-9-19-15-38-16-20(14-34)30-19/h7-8,11-13,19-21,30H,3-6,9-10,14-16H2,1-2H3,(H,28,29,31,32).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-oxa-3,10-diazabicyclo[4.3.1]decane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).