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

C24H19ClF3N5 — CID 24911947

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

6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911947) has the molecular formula C24H19ClF3N5 and a molecular weight of 469.90 g/mol. Its IUPAC name is 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24911947
• Molecular Formula: C24H19ClF3N5
• Molecular Weight: 469.90 g/mol
• Exact Mass: 469.13
• IUPAC Name: 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: FC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2[nH]c(-c4ccccc4)nc2Cl)C3)cc1
• InChI: InChI=1S/C24H19ClF3N5/c25-21-20(31-23(32-21)15-4-2-1-3-5-15)14-33-11-10-19-17(13-33)12-29-22(30-19)16-6-8-18(9-7-16)24(26,27)28/h1-9,12H,10-11,13-14H2,(H,31,32)
• InChIKey: MFFZQVLGYKWZMO-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.90
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911947) is 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2[nH]c(-c4ccccc4)nc2Cl)C3)cc1.

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

The InChIKey is MFFZQVLGYKWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5/c25-21-20(31-23(32-21)15-4-2-1-3-5-15)14-33-11-10-19-17(13-33)12-29-22(30-19)16-6-8-18(9-7-16)24(26,27)28/h1-9,12H,10-11,13-14H2,(H,31,32).

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

6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 469.90 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).