N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H32N8O3 — CID 67355179

About N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67355179) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 67355179
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CCCN5)C4=O)cn3)nc2n1C1CCCOC1
• InChI: InChI=1S/C26H32N8O3/c1-32(2)23(35)20-13-17-14-28-25(31-22(17)34(20)19-5-3-12-37-16-19)30-21-7-6-18(15-27-21)33-11-9-26(24(33)36)8-4-10-29-26/h6-7,13-15,19,29H,3-5,8-12,16H2,1-2H3,(H,27,28,30,31)
• InChIKey: YDHOISKQRAMMCI-UHFFFAOYSA-N
• XLogP: 2.48
• 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	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67355179) is N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CCCN5)C4=O)cn3)nc2n1C1CCCOC1.

What is the InChIKey of N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is YDHOISKQRAMMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-32(2)23(35)20-13-17-14-28-25(31-22(17)34(20)19-5-3-12-37-16-19)30-21-7-6-18(15-27-21)33-11-9-26(24(33)36)8-4-10-29-26/h6-7,13-15,19,29H,3-5,8-12,16H2,1-2H3,(H,27,28,30,31).

What are the key properties of N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67355179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).