N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride

C23H19ClFN5O2 — CID 146052352

About N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride

N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 146052352) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride
• PubChem CID: 146052352
• Molecular Formula: C23H19ClFN5O2
• Molecular Weight: 451.89 g/mol
• Exact Mass: 451.12
• IUPAC Name: N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride
• SMILES: Cc1ccc(C2=CC(c3ccc(F)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1.Cl
• InChI: InChI=1S/C23H18FN5O2.ClH/c1-14-4-6-15(7-5-14)18-13-19(16-8-10-17(24)11-9-16)29-23(25-18)27-22(28-29)26-21(30)20-3-2-12-31-20;/h2-13,19H,1H3,(H2,25,26,27,28,30);1H
• InChIKey: OPBXSVPMGQVJDZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 84.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.89
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride?

The IUPAC name of N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride (CID 146052352) is N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride?

The canonical SMILES for N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride is Cc1ccc(C2=CC(c3ccc(F)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1.Cl.

What is the InChIKey of N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride?

The InChIKey is OPBXSVPMGQVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2.ClH/c1-14-4-6-15(7-5-14)18-13-19(16-8-10-17(24)11-9-16)29-23(25-18)27-22(28-29)26-21(30)20-3-2-12-31-20;/h2-13,19H,1H3,(H2,25,26,27,28,30);1H.

What are the key properties of N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride?

N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 451.89 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).