2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C30H26F2N10O — CID 118538627

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538627) has the molecular formula C30H26F2N10O and a molecular weight of 580.60 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538627
• Molecular Formula: C30H26F2N10O
• Molecular Weight: 580.60 g/mol
• Exact Mass: 580.23
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(Cc4ccn[nH]4)CC3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-34-28)23-9-13-40(14-10-23)16-22-8-12-35-38-22)24-5-6-27-36-26(17-42(27)39-24)37-30(43)20-7-11-33-25(32)15-20/h1-8,11-12,15,17-18,23H,9-10,13-14,16H2,(H,35,38)(H,37,43)
• InChIKey: FHAHBZLKXLVWPD-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 121.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.60
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538627) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(Cc4ccn[nH]4)CC3)ccc2n1)c1ccnc(F)c1.

What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is FHAHBZLKXLVWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-34-28)23-9-13-40(14-10-23)16-22-8-12-35-38-22)24-5-6-27-36-26(17-42(27)39-24)37-30(43)20-7-11-33-25(32)15-20/h1-8,11-12,15,17-18,23H,9-10,13-14,16H2,(H,35,38)(H,37,43).

What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 580.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).