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

C20H17ClN4S — CID 24910354

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

6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910354) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910354
• Molecular Formula: C20H17ClN4S
• Molecular Weight: 380.90 g/mol
• Exact Mass: 380.09
• IUPAC Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc2[nH]cc(CN3CCc4nc(-c5cccs5)ncc4C3)c2c1
• InChI: InChI=1S/C20H17ClN4S/c21-15-3-4-18-16(8-15)13(9-22-18)11-25-6-5-17-14(12-25)10-23-20(24-17)19-2-1-7-26-19/h1-4,7-10,22H,5-6,11-12H2
• InChIKey: OTKWVKTZODYXLW-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.90
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910354) is 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc2[nH]cc(CN3CCc4nc(-c5cccs5)ncc4C3)c2c1.

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

The InChIKey is OTKWVKTZODYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c21-15-3-4-18-16(8-15)13(9-22-18)11-25-6-5-17-14(12-25)10-23-20(24-17)19-2-1-7-26-19/h1-4,7-10,22H,5-6,11-12H2.

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

6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 380.90 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).