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

C22H21N5S — CID 24912223

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

6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912223) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24912223
• Molecular Formula: C22H21N5S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.15
• IUPAC Name: 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1ccc(Cn2cc(CN3CCc4nc(-c5cccs5)ncc4C3)cn2)cc1
• InChI: InChI=1S/C22H21N5S/c1-2-5-17(6-3-1)14-27-15-18(11-24-27)13-26-9-8-20-19(16-26)12-23-22(25-20)21-7-4-10-28-21/h1-7,10-12,15H,8-9,13-14,16H2
• InChIKey: FBHZPSMPUQDGTQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 46.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	4.01
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-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912223) is 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(Cn2cc(CN3CCc4nc(-c5cccs5)ncc4C3)cn2)cc1.

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

The InChIKey is FBHZPSMPUQDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-2-5-17(6-3-1)14-27-15-18(11-24-27)13-26-9-8-20-19(16-26)12-23-22(25-20)21-7-4-10-28-21/h1-7,10-12,15H,8-9,13-14,16H2.

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

6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 387.51 g/mol, XLogP of 4.01, 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-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).