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

C16H20F3N5 — CID 24916344

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

6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916344) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24916344
• Molecular Formula: C16H20F3N5
• Molecular Weight: 339.37 g/mol
• Exact Mass: 339.17
• IUPAC Name: 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC(C)(C)c1[nH]ncc1CN1CCc2nc(C(F)(F)F)ncc2C1
• InChI: InChI=1S/C16H20F3N5/c1-15(2,3)13-11(7-21-23-13)9-24-5-4-12-10(8-24)6-20-14(22-12)16(17,18)19/h6-7H,4-5,8-9H2,1-3H3,(H,21,23)
• InChIKey: JGULIKZQYPLBGX-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.37
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916344) is 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)c1[nH]ncc1CN1CCc2nc(C(F)(F)F)ncc2C1.

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

The InChIKey is JGULIKZQYPLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-15(2,3)13-11(7-21-23-13)9-24-5-4-12-10(8-24)6-20-14(22-12)16(17,18)19/h6-7H,4-5,8-9H2,1-3H3,(H,21,23).

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

6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).