2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C90H75ClF12N32O — CID 161285117

About 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 161285117) has the molecular formula C90H75ClF12N32O and a molecular weight of 1884.24 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 161285117
• Molecular Formula: C90H75ClF12N32O
• Molecular Weight: 1884.24 g/mol
• Exact Mass: 1882.63
• IUPAC Name: 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
• SMILES: CCc1cccc2c(Nc3n[nH]c(C)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCC3)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3Cl)nc3ncccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc(Nc2ncn[nH]2)c2cccnc2n1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(C4CC4)n3)n1)CCCCC2
• InChI: InChI=1S/C21H21F3N6.C20H17F3N6O.C17H15F3N6.C16H12ClN7.C16H10F3N7/c22-21(23,24)15-8-5-4-6-13(15)18-25-16-9-3-1-2-7-14(16)19(26-18)28-20-27-17(29-30-20)12-10-11-12;1-3-12-7-6-9-14-16(12)25-17(26-18(14)27-19-24-11(2)28-29-19)13-8-4-5-10-15(13)30-20(21,22)23;1-9-21-16(26-25-9)24-15-11-6-4-8-13(11)22-14(23-15)10-5-2-3-7-12(10)17(18,19)20;1-9-19-16(24-23-9)22-15-11-6-4-8-18-13(11)20-14(21-15)10-5-2-3-7-12(10)17;17-16(18,19)11-6-2-1-4-9(11)13-23-12-10(5-3-7-20-12)14(24-13)25-15-21-8-22-26-15/h4-6,8,12H,1-3,7,9-11H2,(H2,25,26,27,28,29,30);4-10H,3H2,1-2H3,(H2,24,25,26,27,28,29);2-3,5,7H,4,6,8H2,1H3,(H2,21,22,23,24,25,26);2-8H,1H3,(H2,18,19,20,21,22,23,24);1-8H,(H2,20,21,22,23,24,25,26)
• InChIKey: VFPMBLVAZNCVMC-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 431.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.24
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 161285117) is 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CCc1cccc2c(Nc3n[nH]c(C)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCC3)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3Cl)nc3ncccc23)n[nH]1.FC(F)(F)c1ccccc1-c1nc(Nc2ncn[nH]2)c2cccnc2n1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(C4CC4)n3)n1)CCCCC2.

What is the InChIKey of 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is VFPMBLVAZNCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6.C20H17F3N6O.C17H15F3N6.C16H12ClN7.C16H10F3N7/c22-21(23,24)15-8-5-4-6-13(15)18-25-16-9-3-1-2-7-14(16)19(26-18)28-20-27-17(29-30-20)12-10-11-12;1-3-12-7-6-9-14-16(12)25-17(26-18(14)27-19-24-11(2)28-29-19)13-8-4-5-10-15(13)30-20(21,22)23;1-9-21-16(26-25-9)24-15-11-6-4-8-13(11)22-14(23-15)10-5-2-3-7-12(10)17(18,19)20;1-9-19-16(24-23-9)22-15-11-6-4-8-18-13(11)20-14(21-15)10-5-2-3-7-12(10)17;17-16(18,19)11-6-2-1-4-9(11)13-23-12-10(5-3-7-20-12)14(24-13)25-15-21-8-22-26-15/h4-6,8,12H,1-3,7,9-11H2,(H2,25,26,27,28,29,30);4-10H,3H2,1-2H3,(H2,24,25,26,27,28,29);2-3,5,7H,4,6,8H2,1H3,(H2,21,22,23,24,25,26);2-8H,1H3,(H2,18,19,20,21,22,23,24);1-8H,(H2,20,21,22,23,24,25,26).

What are the key properties of 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?

2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 1884.24 g/mol, XLogP of 21.01, 18 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161285117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).