N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C35H35N11O4 — CID 123533686

About N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 123533686) has the molecular formula C35H35N11O4 and a molecular weight of 673.74 g/mol. Its IUPAC name is N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
• PubChem CID: 123533686
• Molecular Formula: C35H35N11O4
• Molecular Weight: 673.74 g/mol
• Exact Mass: 673.29
• IUPAC Name: N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
• SMILES: Cc1ccc(-c2nn(C)c(N3CCN(C(=O)c4ccon4)CC3)c2-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)cc1
• InChI: InChI=1S/C35H35N11O4/c1-23-3-5-24(6-4-23)32-31(34(42(2)40-32)44-12-14-45(15-13-44)35(48)27-10-18-50-41-27)26-7-8-29-37-28(22-46(29)39-26)38-33(47)25-9-11-36-30(21-25)43-16-19-49-20-17-43/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,38,47)
• InChIKey: AJYHXHOGWVCZFM-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 152.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.74
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?

The IUPAC name of N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 123533686) is N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?

The canonical SMILES for N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1ccc(-c2nn(C)c(N3CCN(C(=O)c4ccon4)CC3)c2-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)cc1.

What is the InChIKey of N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?

The InChIKey is AJYHXHOGWVCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N11O4/c1-23-3-5-24(6-4-23)32-31(34(42(2)40-32)44-12-14-45(15-13-44)35(48)27-10-18-50-41-27)26-7-8-29-37-28(22-46(29)39-26)38-33(47)25-9-11-36-30(21-25)43-16-19-49-20-17-43/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,38,47).

What are the key properties of N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?

N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 673.74 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-methyl-3-(4-methylphenyl)-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 123533686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).