4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine

C23H28N6O — CID 24912586

About 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine

4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine (PubChem CID 24912586) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
• PubChem CID: 24912586
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
• SMILES: Cc1nn(C)c(N2CCOCC2)c1CN1CCc2nc(-c3ccccc3)ncc2C1
• InChI: InChI=1S/C23H28N6O/c1-17-20(23(27(2)26-17)29-10-12-30-13-11-29)16-28-9-8-21-19(15-28)14-24-22(25-21)18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3
• InChIKey: DHIJTUWAZZZPDL-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine?

The IUPAC name of 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine (CID 24912586) is 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine.

What is the SMILES notation for 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine?

The canonical SMILES for 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine is Cc1nn(C)c(N2CCOCC2)c1CN1CCc2nc(-c3ccccc3)ncc2C1.

What is the InChIKey of 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine?

The InChIKey is DHIJTUWAZZZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-20(23(27(2)26-17)29-10-12-30-13-11-29)16-28-9-8-21-19(15-28)14-24-22(25-21)18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3.

What are the key properties of 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine?

4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine has a molecular weight of 404.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine is sourced from PubChem (CID 24912586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).