7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O3 — CID 53377719

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53377719) 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-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 53377719
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCCNCC5)OC4=O)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32)
• InChIKey: SBXGKKOSDIUNGQ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	3.86
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-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 53377719) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCCNCC5)OC4=O)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is SBXGKKOSDIUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32).

What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 3.86, 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-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53377719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).