(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C24H34N6O2 — CID 110265764

About (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone

(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 110265764) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110265764
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
• SMILES: CNc1nc(C2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)nc2c1CCN(C)C2
• InChI: InChI=1S/C24H34N6O2/c1-25-23-18-10-12-29(2)15-20(18)26-22(27-23)17-9-6-11-30(14-17)24(31)21-13-19(28-32-21)16-7-4-3-5-8-16/h13,16-17H,3-12,14-15H2,1-2H3,(H,25,26,27)
• InChIKey: ZSQVQSANFUAARO-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 110265764) is (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is CNc1nc(C2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)nc2c1CCN(C)C2.

What is the InChIKey of (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The InChIKey is ZSQVQSANFUAARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-25-23-18-10-12-29(2)15-20(18)26-22(27-23)17-9-6-11-30(14-17)24(31)21-13-19(28-32-21)16-7-4-3-5-8-16/h13,16-17H,3-12,14-15H2,1-2H3,(H,25,26,27).

What are the key properties of (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 438.58 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110265764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).