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

C23H18FN7O2 — CID 118537165

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)ccn1
InChIInChI=1S/C23H18FN7O2/c1-30-12-17(22(29-30)14-3-5-16(24)6-4-14)18-7-8-20-26-19(13-31(20)28-18)27-23(32)15-9-10-25-21(11-15)33-2/h3-13H,1-2H3,(H,27,32)
InChIKeyHDZKBWIUEHPUIK-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.59
Rot. Bonds5

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide (PubChem CID 118537165) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide
PubChem CID118537165
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)ccn1
InChIInChI=1S/C23H18FN7O2/c1-30-12-17(22(29-30)14-3-5-16(24)6-4-14)18-7-8-20-26-19(13-31(20)28-18)27-23(32)15-9-10-25-21(11-15)33-2/h3-13H,1-2H3,(H,27,32)
InChIKeyHDZKBWIUEHPUIK-UHFFFAOYSA-N
XLogP3.59
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide (CID 118537165) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)ccn1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide?
The InChIKey is HDZKBWIUEHPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-30-12-17(22(29-30)14-3-5-16(24)6-4-14)18-7-8-20-26-19(13-31(20)28-18)27-23(32)15-9-10-25-21(11-15)33-2/h3-13H,1-2H3,(H,27,32).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 118537165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).