(4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone

C135H151F2N39O9S — CID 167664208

About (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone (PubChem CID 167664208) has the molecular formula C135H151F2N39O9S and a molecular weight of 2534.02 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone.

Molecular Properties

• Compound Name: (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone
• PubChem CID: 167664208
• Molecular Formula: C135H151F2N39O9S
• Molecular Weight: 2534.02 g/mol
• Exact Mass: 2532.22
• IUPAC Name: (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone
• SMILES: CC(C)n1ncc2ccc3cnc(Nc4ccc(C(=O)N5CCC(O)CC5)cc4)nc3c21.CC(C)n1ncc2ccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc3c21.CC(C)n1nnc2ccc3cnc(Nc4ccc(C(=O)N5CCC(F)(F)CC5)cc4)nc3c21.CC(NCN(C)C)c1ccc(Nc2ncc3ccc4nnn(C(C)C)c4c3n2)cc1.COCCN(c1ccc(Nc2ncc3ccc4cnn(C(C)C)c4c3n2)cc1)S(C)(=O)=O.COCCNc1ccc(Nc2ncc3ccc4cnn(C(C)C)c4c3n2)cc1
• InChI: InChI=1S/C24H26N6O2.C23H23F2N7O.C23H24N6O2.C22H28N8.C22H26N6O3S.C21H24N6O/c1-15(2)30-22-18(14-26-30)4-3-17-13-25-24(28-21(17)22)27-19-7-5-16(6-8-19)23(32)29-11-9-20(31)10-12-29;1-14(2)32-20-18(29-30-32)8-5-16-13-26-22(28-19(16)20)27-17-6-3-15(4-7-17)21(33)31-11-9-23(24,25)10-12-31;1-15(2)29-21-18(14-25-29)4-3-17-13-24-23(27-20(17)21)26-19-7-5-16(6-8-19)22(30)28-9-11-31-12-10-28;1-14(2)30-21-19(27-28-30)11-8-17-12-23-22(26-20(17)21)25-18-9-6-16(7-10-18)15(3)24-13-29(4)5;1-15(2)28-21-17(14-24-28)6-5-16-13-23-22(26-20(16)21)25-18-7-9-19(10-8-18)27(11-12-31-3)32(4,29)30;1-14(2)27-20-16(13-24-27)5-4-15-12-23-21(26-19(15)20)25-18-8-6-17(7-9-18)22-10-11-28-3/h3-8,13-15,20,31H,9-12H2,1-2H3,(H,25,27,28);3-8,13-14H,9-12H2,1-2H3,(H,26,27,28);3-8,13-15H,9-12H2,1-2H3,(H,24,26,27);6-12,14-15,24H,13H2,1-5H3,(H,23,25,26);5-10,13-15H,11-12H2,1-4H3,(H,23,25,26);4-9,12-14,22H,10-11H2,1-3H3,(H,23,25,26)
• InChIKey: SJWRDASXGRGYCW-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 533.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.02
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone?

The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone (CID 167664208) is (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone.

What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone?

The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone is CC(C)n1ncc2ccc3cnc(Nc4ccc(C(=O)N5CCC(O)CC5)cc4)nc3c21.CC(C)n1ncc2ccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc3c21.CC(C)n1nnc2ccc3cnc(Nc4ccc(C(=O)N5CCC(F)(F)CC5)cc4)nc3c21.CC(NCN(C)C)c1ccc(Nc2ncc3ccc4nnn(C(C)C)c4c3n2)cc1.COCCN(c1ccc(Nc2ncc3ccc4cnn(C(C)C)c4c3n2)cc1)S(C)(=O)=O.COCCNc1ccc(Nc2ncc3ccc4cnn(C(C)C)c4c3n2)cc1.

What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone?

The InChIKey is SJWRDASXGRGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C23H23F2N7O.C23H24N6O2.C22H28N8.C22H26N6O3S.C21H24N6O/c1-15(2)30-22-18(14-26-30)4-3-17-13-25-24(28-21(17)22)27-19-7-5-16(6-8-19)23(32)29-11-9-20(31)10-12-29;1-14(2)32-20-18(29-30-32)8-5-16-13-26-22(28-19(16)20)27-17-6-3-15(4-7-17)21(33)31-11-9-23(24,25)10-12-31;1-15(2)29-21-18(14-25-29)4-3-17-13-24-23(27-20(17)21)26-19-7-5-16(6-8-19)22(30)28-9-11-31-12-10-28;1-14(2)30-21-19(27-28-30)11-8-17-12-23-22(26-20(17)21)25-18-9-6-16(7-10-18)15(3)24-13-29(4)5;1-15(2)28-21-17(14-24-28)6-5-16-13-23-22(26-20(16)21)25-18-7-9-19(10-8-18)27(11-12-31-3)32(4,29)30;1-14(2)27-20-16(13-24-27)5-4-15-12-23-21(26-19(15)20)25-18-8-6-17(7-9-18)22-10-11-28-3/h3-8,13-15,20,31H,9-12H2,1-2H3,(H,25,27,28);3-8,13-14H,9-12H2,1-2H3,(H,26,27,28);3-8,13-15H,9-12H2,1-2H3,(H,24,26,27);6-12,14-15,24H,13H2,1-5H3,(H,23,25,26);5-10,13-15H,11-12H2,1-4H3,(H,23,25,26);4-9,12-14,22H,10-11H2,1-3H3,(H,23,25,26).

What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone?

(4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone has a molecular weight of 2534.02 g/mol, XLogP of 24.19, 34 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-difluoropiperidin-1-yl)-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N',N'-dimethyl-N-[1-[4-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]phenyl]ethyl]methanediamine;(4-hydroxypiperidin-1-yl)-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-N-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanesulfonamide;1-N-(2-methoxyethyl)-4-N-(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)benzene-1,4-diamine;morpholin-4-yl-[4-[(1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-yl)amino]phenyl]methanone is sourced from PubChem (CID 167664208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).