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

C22H22N4OS — CID 24911551

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

6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911551) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911551
• Molecular Formula: C22H22N4OS
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.15
• IUPAC Name: 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc2c(c1)c(CN1CCc3nc(-c4cccs4)ncc3C1)cn2C
• InChI: InChI=1S/C22H22N4OS/c1-25-12-16(18-10-17(27-2)5-6-20(18)25)14-26-8-7-19-15(13-26)11-23-22(24-19)21-4-3-9-28-21/h3-6,9-12H,7-8,13-14H2,1-2H3
• InChIKey: XONQPNBQHLKIIJ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 43.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911551) is 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc2c(c1)c(CN1CCc3nc(-c4cccs4)ncc3C1)cn2C.

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

The InChIKey is XONQPNBQHLKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-25-12-16(18-10-17(27-2)5-6-20(18)25)14-26-8-7-19-15(13-26)11-23-22(24-19)21-4-3-9-28-21/h3-6,9-12H,7-8,13-14H2,1-2H3.

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

6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 390.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).