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

C23H26N4S — CID 24915413

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

2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915413) has the molecular formula C23H26N4S and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915413
• Molecular Formula: C23H26N4S
• Molecular Weight: 390.56 g/mol
• Exact Mass: 390.19
• IUPAC Name: 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cc(CN2CCc3nc(C4CCCCC4)ncc3C2)nc(-c2cccs2)c1
• InChI: InChI=1S/C23H26N4S/c1-2-6-17(7-3-1)23-24-14-18-15-27(12-11-20(18)26-23)16-19-8-4-9-21(25-19)22-10-5-13-28-22/h4-5,8-10,13-14,17H,1-3,6-7,11-12,15-16H2
• InChIKey: WQVXBPCELGGKPZ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 41.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915413) is 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cc(CN2CCc3nc(C4CCCCC4)ncc3C2)nc(-c2cccs2)c1.

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

The InChIKey is WQVXBPCELGGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S/c1-2-6-17(7-3-1)23-24-14-18-15-27(12-11-20(18)26-23)16-19-8-4-9-21(25-19)22-10-5-13-28-22/h4-5,8-10,13-14,17H,1-3,6-7,11-12,15-16H2.

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

2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 390.56 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).