7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H32N8O3 — CID 67355426

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355426) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 67355426
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5COCC(C4)N5)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C26H32N8O3/c1-32(2)25(36)21-9-17-11-28-26(31-23(17)34(21)20-5-3-4-6-20)30-22-8-7-16(10-27-22)24(35)33-12-18-14-37-15-19(13-33)29-18/h7-11,18-20,29H,3-6,12-15H2,1-2H3,(H,27,28,30,31)
• InChIKey: QGOHDQPMIZUYRB-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355426) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5COCC(C4)N5)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is QGOHDQPMIZUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-32(2)25(36)21-9-17-11-28-26(31-23(17)34(21)20-5-3-4-6-20)30-22-8-7-16(10-27-22)24(35)33-12-18-14-37-15-19(13-33)29-18/h7-11,18-20,29H,3-6,12-15H2,1-2H3,(H,27,28,30,31).

What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 2.20, 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-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).