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

C21H21F3N4S — CID 24917147

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

4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 24917147) has the molecular formula C21H21F3N4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• PubChem CID: 24917147
• Molecular Formula: C21H21F3N4S
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.14
• IUPAC Name: 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• SMILES: CCCc1ncc2c(n1)CCN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2
• InChI: InChI=1S/C21H21F3N4S/c1-2-3-19-25-10-15-11-28(9-8-18(15)27-19)12-17-13-29-20(26-17)14-4-6-16(7-5-14)21(22,23)24/h4-7,10,13H,2-3,8-9,11-12H2,1H3
• InChIKey: APBGPGDVLKQROD-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 41.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 24917147) is 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

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

The canonical SMILES for 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CCCc1ncc2c(n1)CCN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2.

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

The InChIKey is APBGPGDVLKQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4S/c1-2-3-19-25-10-15-11-28(9-8-18(15)27-19)12-17-13-29-20(26-17)14-4-6-16(7-5-14)21(22,23)24/h4-7,10,13H,2-3,8-9,11-12H2,1H3.

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

4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 418.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 24917147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).