7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C92H70N18O9S — CID 158651922

About 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158651922) has the molecular formula C92H70N18O9S and a molecular weight of 1603.76 g/mol. Its IUPAC name is 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158651922
• Molecular Formula: C92H70N18O9S
• Molecular Weight: 1603.76 g/mol
• Exact Mass: 1602.53
• IUPAC Name: 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.Cc1nc2cccnn2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.Cc1ncsc1C#Cc1cccc2oc(C(C)NC(=O)c3c(C)nn4cccnc34)c(-c3ccccc3)c(=O)c12
• InChI: InChI=1S/C31H24N6O3.C31H23N5O3S.C30H23N7O3/c1-19-28(37-25(34-19)13-8-16-32-37)31(39)35-20(2)30-27(22-9-5-4-6-10-22)29(38)26-23(11-7-12-24(26)40-30)15-14-21-17-33-36(3)18-21;1-18-24(40-17-33-18)14-13-22-11-7-12-23-26(22)28(37)27(21-9-5-4-6-10-21)29(39-23)20(3)34-31(38)25-19(2)35-36-16-8-15-32-30(25)36;1-18(35-30(39)25-28(31)33-17-37-14-13-32-29(25)37)27-24(20-7-4-3-5-8-20)26(38)23-21(9-6-10-22(23)40-27)12-11-19-15-34-36(2)16-19/h4-13,16-18,20H,1-3H3,(H,35,39);4-12,15-17,20H,1-3H3,(H,34,38);3-10,13-18H,31H2,1-2H3,(H,35,39)/t20-;;18-/m0.0/s1
• InChIKey: IBQWCGHCQCJWJQ-MCYRVMGFSA-N
• XLogP: 13.61
• TPSA: 343.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.76
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158651922) is 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.Cc1nc2cccnn2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.Cc1ncsc1C#Cc1cccc2oc(C(C)NC(=O)c3c(C)nn4cccnc34)c(-c3ccccc3)c(=O)c12.

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

The InChIKey is IBQWCGHCQCJWJQ-MCYRVMGFSA-N. The full InChI is InChI=1S/C31H24N6O3.C31H23N5O3S.C30H23N7O3/c1-19-28(37-25(34-19)13-8-16-32-37)31(39)35-20(2)30-27(22-9-5-4-6-10-22)29(38)26-23(11-7-12-24(26)40-30)15-14-21-17-33-36(3)18-21;1-18-24(40-17-33-18)14-13-22-11-7-12-23-26(22)28(37)27(21-9-5-4-6-10-21)29(39-23)20(3)34-31(38)25-19(2)35-36-16-8-15-32-30(25)36;1-18(35-30(39)25-28(31)33-17-37-14-13-32-29(25)37)27-24(20-7-4-3-5-8-20)26(38)23-21(9-6-10-22(23)40-27)12-11-19-15-34-36(2)16-19/h4-13,16-18,20H,1-3H3,(H,35,39);4-12,15-17,20H,1-3H3,(H,34,38);3-10,13-18H,31H2,1-2H3,(H,35,39)/t20-;;18-/m0.0/s1.

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

7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1603.76 g/mol, XLogP of 13.61, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-methyl-N-[1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).