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

C23H22N6 — CID 24912212

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

6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912212) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912212
• Molecular Formula: C23H22N6
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.19
• IUPAC Name: 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1ccc(Cn2cc(CN3CCc4nc(-c5cccnc5)ncc4C3)cn2)cc1
• InChI: InChI=1S/C23H22N6/c1-2-5-18(6-3-1)15-29-16-19(11-26-29)14-28-10-8-22-21(17-28)13-25-23(27-22)20-7-4-9-24-12-20/h1-7,9,11-13,16H,8,10,14-15,17H2
• InChIKey: GKCBJGBCASDLGC-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912212) is 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(Cn2cc(CN3CCc4nc(-c5cccnc5)ncc4C3)cn2)cc1.

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

The InChIKey is GKCBJGBCASDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-2-5-18(6-3-1)15-29-16-19(11-26-29)14-28-10-8-22-21(17-28)13-25-23(27-22)20-7-4-9-24-12-20/h1-7,9,11-13,16H,8,10,14-15,17H2.

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

6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 382.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).