[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone

C17H18N6O — CID 141290904

About [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone

[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 141290904) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone
• PubChem CID: 141290904
• Molecular Formula: C17H18N6O
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.15
• IUPAC Name: [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone
• SMILES: O=C(c1ccc[nH]1)N1CCN(c2ncnc3[nH]ccc23)CC12CC2
• InChI: InChI=1S/C17H18N6O/c24-16(13-2-1-6-18-13)23-9-8-22(10-17(23)4-5-17)15-12-3-7-19-14(12)20-11-21-15/h1-3,6-7,11,18H,4-5,8-10H2,(H,19,20,21)
• InChIKey: SGAZUAKKHTUUSN-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 80.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone?

The IUPAC name of [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone (CID 141290904) is [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone.

What is the SMILES notation for [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone?

The canonical SMILES for [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCN(c2ncnc3[nH]ccc23)CC12CC2.

What is the InChIKey of [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone?

The InChIKey is SGAZUAKKHTUUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16(13-2-1-6-18-13)23-9-8-22(10-17(23)4-5-17)15-12-3-7-19-14(12)20-11-21-15/h1-3,6-7,11,18H,4-5,8-10H2,(H,19,20,21).

What are the key properties of [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone?

[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 141290904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).