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

C24H22N4OS — CID 24915635

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

6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915635) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915635
• Molecular Formula: C24H22N4OS
• Molecular Weight: 414.53 g/mol
• Exact Mass: 414.15
• IUPAC Name: 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccccc1-c1ccc(CN2CCc3nc(-c4cccnc4)ncc3C2)s1
• InChI: InChI=1S/C24H22N4OS/c1-29-22-7-3-2-6-20(22)23-9-8-19(30-23)16-28-12-10-21-18(15-28)14-26-24(27-21)17-5-4-11-25-13-17/h2-9,11,13-14H,10,12,15-16H2,1H3
• InChIKey: SCARQGFFPIIBOB-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 51.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.53
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915635) is 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccccc1-c1ccc(CN2CCc3nc(-c4cccnc4)ncc3C2)s1.

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

The InChIKey is SCARQGFFPIIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-29-22-7-3-2-6-20(22)23-9-8-19(30-23)16-28-12-10-21-18(15-28)14-26-24(27-21)17-5-4-11-25-13-17/h2-9,11,13-14H,10,12,15-16H2,1H3.

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

6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 414.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).