2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide

C92H73N23O6 — CID 157328973

About 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide

2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 157328973) has the molecular formula C92H73N23O6 and a molecular weight of 1596.75 g/mol. Its IUPAC name is 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• PubChem CID: 157328973
• Molecular Formula: C92H73N23O6
• Molecular Weight: 1596.75 g/mol
• Exact Mass: 1595.61
• IUPAC Name: 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide
• SMILES: Cc1nc2cccnn2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.Cc1ncc2cccnc2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1
• InChI: InChI=1S/C32H25N7O2.2C30H24N8O2/c1-20-27(30-24(18-34-20)11-8-16-33-30)31(40)36-21(2)29-28(23-9-5-4-6-10-23)32(41)39-25(12-7-13-26(39)37-29)15-14-22-17-35-38(3)19-22;1-19(34-29(39)28-20(2)33-25-13-8-16-31-38(25)28)27-26(22-9-5-4-6-10-22)30(40)37-23(11-7-12-24(37)35-27)15-14-21-17-32-36(3)18-21;1-19-25(28-31-14-15-37(28)18-32-19)29(39)34-20(2)27-26(22-8-5-4-6-9-22)30(40)38-23(10-7-11-24(38)35-27)13-12-21-16-33-36(3)17-21/h4-13,16-19,21H,1-3H3,(H,36,40);4-13,16-19H,1-3H3,(H,34,39);4-11,14-18,20H,1-3H3,(H,34,39)
• InChIKey: BFBGWJNZBIKNIX-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 330.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.75
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The IUPAC name of 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide (CID 157328973) is 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide.

What is the SMILES notation for 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The canonical SMILES for 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide is Cc1nc2cccnn2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.Cc1ncc2cccnc2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.Cc1ncn2ccnc2c1C(=O)NC(C)c1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.

What is the InChIKey of 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

The InChIKey is BFBGWJNZBIKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7O2.2C30H24N8O2/c1-20-27(30-24(18-34-20)11-8-16-33-30)31(40)36-21(2)29-28(23-9-5-4-6-10-23)32(41)39-25(12-7-13-26(39)37-29)15-14-22-17-35-38(3)19-22;1-19(34-29(39)28-20(2)33-25-13-8-16-31-38(25)28)27-26(22-9-5-4-6-10-22)30(40)37-23(11-7-12-24(37)35-27)15-14-21-17-32-36(3)18-21;1-19-25(28-31-14-15-37(28)18-32-19)29(39)34-20(2)27-26(22-8-5-4-6-9-22)30(40)38-23(10-7-11-24(38)35-27)13-12-21-16-33-36(3)17-21/h4-13,16-19,21H,1-3H3,(H,36,40);4-13,16-19H,1-3H3,(H,34,39);4-11,14-18,20H,1-3H3,(H,34,39).

What are the key properties of 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide?

2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 1596.75 g/mol, XLogP of 10.91, 12 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide;7-methyl-N-[1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 157328973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).