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

C19H18F3N5 — CID 24913375

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

6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913375) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24913375
• Molecular Formula: C19H18F3N5
• Molecular Weight: 373.38 g/mol
• Exact Mass: 373.15
• IUPAC Name: 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cn1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)n1
• InChI: InChI=1S/C19H18F3N5/c1-26-8-6-16(25-26)12-27-9-7-17-14(11-27)10-23-18(24-17)13-2-4-15(5-3-13)19(20,21)22/h2-6,8,10H,7,9,11-12H2,1H3
• InChIKey: WIGAZKIJYBFWPU-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.38
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913375) is 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1ccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)n1.

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

The InChIKey is WIGAZKIJYBFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-26-8-6-16(25-26)12-27-9-7-17-14(11-27)10-23-18(24-17)13-2-4-15(5-3-13)19(20,21)22/h2-6,8,10H,7,9,11-12H2,1H3.

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

6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).