1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C21H20N6O3 — CID 157011265

About 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157011265) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• PubChem CID: 157011265
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
• SMILES: O=C(c1cncc(=O)[nH]1)N1CCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)CC1
• InChI: InChI=1S/C21H20N6O3/c28-16-12-23-11-15(24-16)20(30)27-8-5-21(6-9-27)4-3-14-17(21)25-18(26-19(14)29)13-2-1-7-22-10-13/h1-2,7,10-12H,3-6,8-9H2,(H,24,28)(H,25,26,29)
• InChIKey: BGSFGRHFBPCGSE-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 124.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The IUPAC name of 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 157011265) is 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

What is the SMILES notation for 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The canonical SMILES for 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(c1cncc(=O)[nH]1)N1CCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)CC1.

What is the InChIKey of 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

The InChIKey is BGSFGRHFBPCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-16-12-23-11-15(24-16)20(30)27-8-5-21(6-9-27)4-3-14-17(21)25-18(26-19(14)29)13-2-1-7-22-10-13/h1-2,7,10-12H,3-6,8-9H2,(H,24,28)(H,25,26,29).

What are the key properties of 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?

1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 404.43 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157011265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).