2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C30H32N10O2 — CID 144654470

About 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 144654470) has the molecular formula C30H32N10O2 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 144654470
• Molecular Formula: C30H32N10O2
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.27
• IUPAC Name: 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: C=C/C(=C\C)c1nn(C)c(N2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(C)c3)cn2n1
• InChI: InChI=1S/C30H32N10O2/c1-5-21(6-2)28-27(30(37(4)35-28)39-14-12-38(13-15-39)18-23-10-16-42-36-23)24-7-8-26-32-25(19-40(26)34-24)33-29(41)22-9-11-31-20(3)17-22/h5-11,16-17,19H,1,12-15,18H2,2-4H3,(H,33,41)/b21-6+
• InChIKey: KMBBBERAOSTJEP-AERZKKPOSA-N
• XLogP: 3.99
• TPSA: 122.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 144654470) is 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is C=C/C(=C\C)c1nn(C)c(N2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(C)c3)cn2n1.

What is the InChIKey of 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is KMBBBERAOSTJEP-AERZKKPOSA-N. The full InChI is InChI=1S/C30H32N10O2/c1-5-21(6-2)28-27(30(37(4)35-28)39-14-12-38(13-15-39)18-23-10-16-42-36-23)24-7-8-26-32-25(19-40(26)34-24)33-29(41)22-9-11-31-20(3)17-22/h5-11,16-17,19H,1,12-15,18H2,2-4H3,(H,33,41)/b21-6+.

What are the key properties of 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 564.65 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-[1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-3-[(3E)-penta-1,3-dien-3-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 144654470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).