2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

C89H70N24O6S — CID 158613636

About 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 158613636) has the molecular formula C89H70N24O6S and a molecular weight of 1603.77 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 158613636
• Molecular Formula: C89H70N24O6S
• Molecular Weight: 1603.77 g/mol
• Exact Mass: 1602.56
• IUPAC Name: 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: C[C@H](NC(=O)c1c(N)nc2cccnn12)c1nc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C31H26N8O2.C30H24N8O2.C28H20N8O2S/c1-19-26(29-32-15-16-38(29)18-33-19)30(40)35-20(2)28-36-25-12-8-9-22(13-14-23-17-34-37(4)21(23)3)27(25)31(41)39(28)24-10-6-5-7-11-24;1-19-25(28-31-14-15-37(28)18-32-19)29(39)34-20(2)27-35-24-11-7-8-22(13-12-21-16-33-36(3)17-21)26(24)30(40)38(27)23-9-5-4-6-10-23;1-17(32-27(37)24-25(29)34-22-11-6-14-31-36(22)24)26-33-21-10-5-7-18(12-13-20-15-30-16-39-20)23(21)28(38)35(26)19-8-3-2-4-9-19/h5-12,15-18,20H,1-4H3,(H,35,40);4-11,14-18,20H,1-3H3,(H,34,39);2-11,14-17H,29H2,1H3,(H,32,37)/t2*20-;17-/m000/s1
• InChIKey: HXDFUCCWKFDPKY-PXVLDTOYSA-N
• XLogP: 10.39
• TPSA: 357.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.77
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 158613636) is 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is C[C@H](NC(=O)c1c(N)nc2cccnn12)c1nc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is HXDFUCCWKFDPKY-PXVLDTOYSA-N. The full InChI is InChI=1S/C31H26N8O2.C30H24N8O2.C28H20N8O2S/c1-19-26(29-32-15-16-38(29)18-33-19)30(40)35-20(2)28-36-25-12-8-9-22(13-14-23-17-34-37(4)21(23)3)27(25)31(41)39(28)24-10-6-5-7-11-24;1-19-25(28-31-14-15-37(28)18-32-19)29(39)34-20(2)27-35-24-11-7-8-22(13-12-21-16-33-36(3)17-21)26(24)30(40)38(27)23-9-5-4-6-10-23;1-17(32-27(37)24-25(29)34-22-11-6-14-31-36(22)24)26-33-21-10-5-7-18(12-13-20-15-30-16-39-20)23(21)28(38)35(26)19-8-3-2-4-9-19/h5-12,15-18,20H,1-4H3,(H,35,40);4-11,14-18,20H,1-3H3,(H,34,39);2-11,14-17H,29H2,1H3,(H,32,37)/t2*20-;17-/m000/s1.

What are the key properties of 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 1603.77 g/mol, XLogP of 10.39, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-5-yl)ethynyl]quinazolin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-7-methylimidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 158613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).