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

C30H24F2N10O2 — CID 118538686

IUPAC2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(C(=O)c4cnc[nH]4)CC3)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C30H24F2N10O2/c31-20-3-1-18(2-4-20)27-28(41(17-36-27)21-8-11-40(12-9-21)30(44)23-14-33-16-35-23)22-5-6-26-37-25(15-42(26)39-22)38-29(43)19-7-10-34-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,33,35)(H,38,43)
InChIKeyXBSLPIZNQSAFOH-UHFFFAOYSA-N
MW594.59 g/mol
LogP4.39
Rot. Bonds6

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)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-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538686) has the molecular formula C30H24F2N10O2 and a molecular weight of 594.59 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538686
Molecular FormulaC30H24F2N10O2
Molecular Weight594.59 g/mol
Exact Mass594.21
IUPAC Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(C(=O)c4cnc[nH]4)CC3)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C30H24F2N10O2/c31-20-3-1-18(2-4-20)27-28(41(17-36-27)21-8-11-40(12-9-21)30(44)23-14-33-16-35-23)22-5-6-26-37-25(15-42(26)39-22)38-29(43)19-7-10-34-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,33,35)(H,38,43)
InChIKeyXBSLPIZNQSAFOH-UHFFFAOYSA-N
XLogP4.39
TPSA138.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.59
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)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-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538686) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)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-imidazole-5-carbonyl)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-imidazole-5-carbonyl)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(C(=O)c4cnc[nH]4)CC3)ccc2n1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is XBSLPIZNQSAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N10O2/c31-20-3-1-18(2-4-20)27-28(41(17-36-27)21-8-11-40(12-9-21)30(44)23-14-33-16-35-23)22-5-6-26-37-25(15-42(26)39-22)38-29(43)19-7-10-34-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,33,35)(H,38,43).
What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1H-imidazole-5-carbonyl)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-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 594.59 g/mol, XLogP of 4.39, 6 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-imidazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).