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

C23H19ClN4S — CID 24915414

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

2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915414) has the molecular formula C23H19ClN4S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915414
• Molecular Formula: C23H19ClN4S
• Molecular Weight: 418.95 g/mol
• Exact Mass: 418.10
• IUPAC Name: 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(-c2ncc3c(n2)CCN(Cc2cccc(-c4cccs4)n2)C3)cc1
• InChI: InChI=1S/C23H19ClN4S/c24-18-8-6-16(7-9-18)23-25-13-17-14-28(11-10-20(17)27-23)15-19-3-1-4-21(26-19)22-5-2-12-29-22/h1-9,12-13H,10-11,14-15H2
• InChIKey: VRZSFPZCHQKVFL-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 41.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.95
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915414) is 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2cccc(-c4cccs4)n2)C3)cc1.

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

The InChIKey is VRZSFPZCHQKVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4S/c24-18-8-6-16(7-9-18)23-25-13-17-14-28(11-10-20(17)27-23)15-19-3-1-4-21(26-19)22-5-2-12-29-22/h1-9,12-13H,10-11,14-15H2.

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

2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 418.95 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).