6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H25N5O — CID 24913578

About 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913578) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24913578
• Molecular Formula: C17H25N5O
• Molecular Weight: 315.42 g/mol
• Exact Mass: 315.21
• IUPAC Name: 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCCc1ncc2c(n1)CCN(Cc1c(C)nn(C)c1OC)C2
• InChI: InChI=1S/C17H25N5O/c1-5-6-16-18-9-13-10-22(8-7-15(13)19-16)11-14-12(2)20-21(3)17(14)23-4/h9H,5-8,10-11H2,1-4H3
• InChIKey: OXZHVKBPKDLKQT-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913578) is 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1c(C)nn(C)c1OC)C2.

What is the InChIKey of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is OXZHVKBPKDLKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-6-16-18-9-13-10-22(8-7-15(13)19-16)11-14-12(2)20-21(3)17(14)23-4/h9H,5-8,10-11H2,1-4H3.

What are the key properties of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).