N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide

C23H23FN6O — CID 118537209

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)C4CCCCC4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H23FN6O/c1-29-13-18(22(28-29)15-7-9-17(24)10-8-15)19-11-12-21-25-20(14-30(21)27-19)26-23(31)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,26,31)
InChIKeyWNBWDRVKDPRTAU-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.45
Rot. Bonds4

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide (PubChem CID 118537209) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide
PubChem CID118537209
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)C4CCCCC4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H23FN6O/c1-29-13-18(22(28-29)15-7-9-17(24)10-8-15)19-11-12-21-25-20(14-30(21)27-19)26-23(31)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,26,31)
InChIKeyWNBWDRVKDPRTAU-UHFFFAOYSA-N
XLogP4.45
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide (CID 118537209) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide is Cn1cc(-c2ccc3nc(NC(=O)C4CCCCC4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide?
The InChIKey is WNBWDRVKDPRTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-29-13-18(22(28-29)15-7-9-17(24)10-8-15)19-11-12-21-25-20(14-30(21)27-19)26-23(31)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,26,31).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 118537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).