2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine

C88H64ClF9N34 — CID 158476976

About 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 158476976) has the molecular formula C88H64ClF9N34 and a molecular weight of 1804.15 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 158476976
• Molecular Formula: C88H64ClF9N34
• Molecular Weight: 1804.15 g/mol
• Exact Mass: 1802.56
• IUPAC Name: 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
• SMILES: C#Cc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccncc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ncccc23)n[nH]1.Clc1ccccc1-c1nc(Nc2n[nH]c(C3CC3)n2)c2ccncc2n1
• InChI: InChI=1S/C19H14N6.C18H14ClN7.3C17H12F3N7/c1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;19-13-4-2-1-3-11(13)16-21-14-9-20-8-7-12(14)17(22-16)24-18-23-15(25-26-18)10-5-6-10;1-9-22-16(27-26-9)25-15-11-6-4-8-21-13(11)23-14(24-15)10-5-2-3-7-12(10)17(18,19)20;1-9-22-16(27-26-9)25-15-11-8-21-7-6-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20;1-9-22-16(27-26-9)25-15-11-6-7-21-8-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20/h1,4-11H,2H3,(H2,20,21,22,23,24,25);1-4,7-10H,5-6H2,(H2,21,22,23,24,25,26);2-8H,1H3,(H2,21,22,23,24,25,26,27);2*2-8H,1H3,(H2,22,23,24,25,26,27)
• InChIKey: HHBGPQHMUKVEEQ-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 448.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.15
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine (CID 158476976) is 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine is C#Cc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccncc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ncccc23)n[nH]1.Clc1ccccc1-c1nc(Nc2n[nH]c(C3CC3)n2)c2ccncc2n1.

What is the InChIKey of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is HHBGPQHMUKVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6.C18H14ClN7.3C17H12F3N7/c1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;19-13-4-2-1-3-11(13)16-21-14-9-20-8-7-12(14)17(22-16)24-18-23-15(25-26-18)10-5-6-10;1-9-22-16(27-26-9)25-15-11-6-4-8-21-13(11)23-14(24-15)10-5-2-3-7-12(10)17(18,19)20;1-9-22-16(27-26-9)25-15-11-8-21-7-6-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20;1-9-22-16(27-26-9)25-15-11-6-7-21-8-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20/h1,4-11H,2H3,(H2,20,21,22,23,24,25);1-4,7-10H,5-6H2,(H2,21,22,23,24,25,26);2-8H,1H3,(H2,21,22,23,24,25,26,27);2*2-8H,1H3,(H2,22,23,24,25,26,27).

What are the key properties of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?

2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 1804.15 g/mol, XLogP of 19.17, 16 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158476976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).