[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone

C24H33N5O — CID 42855508

About [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone

[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 42855508) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
• PubChem CID: 42855508
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
• SMILES: CC1CCN(c2nc3c(c(N(C)C(C)C)n2)CN(C(=O)c2ccccc2)CC3)CC1
• InChI: InChI=1S/C24H33N5O/c1-17(2)27(4)22-20-16-29(23(30)19-8-6-5-7-9-19)15-12-21(20)25-24(26-22)28-13-10-18(3)11-14-28/h5-9,17-18H,10-16H2,1-4H3
• InChIKey: HYSVQJVOKSVRJU-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?

The IUPAC name of [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone (CID 42855508) is [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone.

What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?

The canonical SMILES for [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone is CC1CCN(c2nc3c(c(N(C)C(C)C)n2)CN(C(=O)c2ccccc2)CC3)CC1.

What is the InChIKey of [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?

The InChIKey is HYSVQJVOKSVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-17(2)27(4)22-20-16-29(23(30)19-8-6-5-7-9-19)15-12-21(20)25-24(26-22)28-13-10-18(3)11-14-28/h5-9,17-18H,10-16H2,1-4H3.

What are the key properties of [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?

[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 407.56 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 42855508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).