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

C21H15FN8O — CID 118550856

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cnccn4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H15FN8O/c1-29-11-15(20(28-29)13-2-4-14(22)5-3-13)16-6-7-19-25-18(12-30(19)27-16)26-21(31)17-10-23-8-9-24-17/h2-12H,1H3,(H,26,31)
InChIKeyPXJALBRYJBBIRE-UHFFFAOYSA-N
MW414.40 g/mol
LogP2.98
Rot. Bonds4

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide (PubChem CID 118550856) has the molecular formula C21H15FN8O and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
PubChem CID118550856
Molecular FormulaC21H15FN8O
Molecular Weight414.40 g/mol
Exact Mass414.14
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cnccn4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H15FN8O/c1-29-11-15(20(28-29)13-2-4-14(22)5-3-13)16-6-7-19-25-18(12-30(19)27-16)26-21(31)17-10-23-8-9-24-17/h2-12H,1H3,(H,26,31)
InChIKeyPXJALBRYJBBIRE-UHFFFAOYSA-N
XLogP2.98
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 52.98
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]pyrazine-2-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide (CID 118550856) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4cnccn4)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]pyrazine-2-carboxamide?
The InChIKey is PXJALBRYJBBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8O/c1-29-11-15(20(28-29)13-2-4-14(22)5-3-13)16-6-7-19-25-18(12-30(19)27-16)26-21(31)17-10-23-8-9-24-17/h2-12H,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]pyrazine-2-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 2.98, 4 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]pyrazine-2-carboxamide is sourced from PubChem (CID 118550856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).