1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone

C27H34N6O — CID 146993840

About 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone

1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone (PubChem CID 146993840) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
• PubChem CID: 146993840
• Molecular Formula: C27H34N6O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.28
• IUPAC Name: 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
• SMILES: CC(C)N1CCC(Nc2cncc(-c3ccc4cnc(CC(=O)C5CCCC5)nc4c3)n2)CC1
• InChI: InChI=1S/C27H34N6O/c1-18(2)33-11-9-22(10-12-33)30-27-17-28-16-24(32-27)20-7-8-21-15-29-26(31-23(21)13-20)14-25(34)19-5-3-4-6-19/h7-8,13,15-19,22H,3-6,9-12,14H2,1-2H3,(H,30,32)
• InChIKey: AQSCQGVOUZGQBU-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?

The IUPAC name of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone (CID 146993840) is 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone.

What is the SMILES notation for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?

The canonical SMILES for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone is CC(C)N1CCC(Nc2cncc(-c3ccc4cnc(CC(=O)C5CCCC5)nc4c3)n2)CC1.

What is the InChIKey of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?

The InChIKey is AQSCQGVOUZGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-18(2)33-11-9-22(10-12-33)30-27-17-28-16-24(32-27)20-7-8-21-15-29-26(31-23(21)13-20)14-25(34)19-5-3-4-6-19/h7-8,13,15-19,22H,3-6,9-12,14H2,1-2H3,(H,30,32).

What are the key properties of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?

1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone has a molecular weight of 458.61 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone is sourced from PubChem (CID 146993840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).