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

C24H19FN6O2 — CID 118537205

IUPACbenzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCn1cc(-c2ccc3nc(NC(=O)OCc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19FN6O2/c1-30-13-19(23(29-30)17-7-9-18(25)10-8-17)20-11-12-22-26-21(14-31(22)28-20)27-24(32)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,32)
InChIKeySMWOEANAQLSZPC-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.68
Rot. Bonds5

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

benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate (PubChem CID 118537205) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate
PubChem CID118537205
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Namebenzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate
SMILESCn1cc(-c2ccc3nc(NC(=O)OCc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19FN6O2/c1-30-13-19(23(29-30)17-7-9-18(25)10-8-17)20-11-12-22-26-21(14-31(22)28-20)27-24(32)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,32)
InChIKeySMWOEANAQLSZPC-UHFFFAOYSA-N
XLogP4.68
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 11690019
CID 11690019
CID 24951732
CID 24951732
CID 90655897
CID 90655897
CID 44138092
CID 44138092
CID 24798754
CID 24798754
CID 44419899
CID 44419899
CID 127050132
CID 127050132
CID 127050761
CID 127050761
CID 127051045
CID 127051045
CID 127052289
CID 127052289
CID 10194801
CID 10194801
CID 10226418
CID 10226418

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The IUPAC name of benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate (CID 118537205) is benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate.
What is the SMILES notation for benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The canonical SMILES for benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate is Cn1cc(-c2ccc3nc(NC(=O)OCc4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
The InChIKey is SMWOEANAQLSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-30-13-19(23(29-30)17-7-9-18(25)10-8-17)20-11-12-22-26-21(14-31(22)28-20)27-24(32)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,32).
What are the key properties of benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate?
benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate has a molecular weight of 442.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate is sourced from PubChem (CID 118537205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).