N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C25H32N6O3 — CID 10151783

About N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 10151783) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• PubChem CID: 10151783
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• SMILES: CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCC(O)(C(C)C)CC3)cc12
• InChI: InChI=1S/C25H32N6O3/c1-16(2)25(34)9-13-31(14-10-25)24(33)20-15-19-22(27-12-11-26-17(3)32)29-21(30-23(19)28-20)18-7-5-4-6-8-18/h4-8,15-16,34H,9-14H2,1-3H3,(H,26,32)(H2,27,28,29,30)
• InChIKey: GLDQKJKPOJZMCF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 123.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The IUPAC name of N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 10151783) is N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

What is the SMILES notation for N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The canonical SMILES for N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCC(O)(C(C)C)CC3)cc12.

What is the InChIKey of N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The InChIKey is GLDQKJKPOJZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-16(2)25(34)9-13-31(14-10-25)24(33)20-15-19-22(27-12-11-26-17(3)32)29-21(30-23(19)28-20)18-7-5-4-6-8-18/h4-8,15-16,34H,9-14H2,1-3H3,(H,26,32)(H2,27,28,29,30).

What are the key properties of N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 10151783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).