1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C21H27N5O2 — CID 56861041

About 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56861041) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 56861041
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCC(CCO)CC2)C1
• InChI: InChI=1S/C21H27N5O2/c1-15(28)26-12-7-17-19(14-26)23-20(18-4-2-3-9-22-18)24-21(17)25-10-5-16(6-11-25)8-13-27/h2-4,9,16,27H,5-8,10-14H2,1H3
• InChIKey: CUGKBQFIBCFLOK-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The IUPAC name of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56861041) is 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

What is the SMILES notation for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The canonical SMILES for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCC(CCO)CC2)C1.

What is the InChIKey of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The InChIKey is CUGKBQFIBCFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(28)26-12-7-17-19(14-26)23-20(18-4-2-3-9-22-18)24-21(17)25-10-5-16(6-11-25)8-13-27/h2-4,9,16,27H,5-8,10-14H2,1H3.

What are the key properties of 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 381.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56861041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).