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

C16H17N7 — CID 24913372

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

6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913372) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24913372
• Molecular Formula: C16H17N7
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.15
• IUPAC Name: 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cn1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)n1
• InChI: InChI=1S/C16H17N7/c1-22-4-2-14(21-22)10-23-5-3-15-13(9-23)8-19-16(20-15)12-6-17-11-18-7-12/h2,4,6-8,11H,3,5,9-10H2,1H3
• InChIKey: POFLFIAHSFJLEL-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913372) is 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)n1.

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

The InChIKey is POFLFIAHSFJLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-22-4-2-14(21-22)10-23-5-3-15-13(9-23)8-19-16(20-15)12-6-17-11-18-7-12/h2,4,6-8,11H,3,5,9-10H2,1H3.

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

6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 307.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).