4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

C17H17N5S — CID 24909127

About 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24909127) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• PubChem CID: 24909127
• Molecular Formula: C17H17N5S
• Molecular Weight: 323.43 g/mol
• Exact Mass: 323.12
• IUPAC Name: 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
• SMILES: Cc1csc(CN2CCc3nc(-c4ccncc4)ncc3C2)n1
• InChI: InChI=1S/C17H17N5S/c1-12-11-23-16(20-12)10-22-7-4-15-14(9-22)8-19-17(21-15)13-2-5-18-6-3-13/h2-3,5-6,8,11H,4,7,9-10H2,1H3
• InChIKey: DDEYIAQLACAGAC-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 54.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.43
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The IUPAC name of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24909127) is 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

What is the SMILES notation for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The canonical SMILES for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is Cc1csc(CN2CCc3nc(-c4ccncc4)ncc3C2)n1.

What is the InChIKey of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

The InChIKey is DDEYIAQLACAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-12-11-23-16(20-12)10-22-7-4-15-14(9-22)8-19-17(21-15)13-2-5-18-6-3-13/h2-3,5-6,8,11H,4,7,9-10H2,1H3.

What are the key properties of 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?

4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 323.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24909127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).