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

C20H17FN6O — CID 118537129

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN6O/c1-26-10-15(19(25-26)12-4-6-14(21)7-5-12)16-8-9-18-22-17(11-27(18)24-16)23-20(28)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,23,28)
InChIKeyXXRCNUFICRDVGI-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.28
Rot. Bonds4

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 118537129) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID118537129
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN6O/c1-26-10-15(19(25-26)12-4-6-14(21)7-5-12)16-8-9-18-22-17(11-27(18)24-16)23-20(28)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,23,28)
InChIKeyXXRCNUFICRDVGI-UHFFFAOYSA-N
XLogP3.28
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.28
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]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 118537129) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cn1cc(-c2ccc3nc(NC(=O)C4CC4)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]cyclopropanecarboxamide?
The InChIKey is XXRCNUFICRDVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-26-10-15(19(25-26)12-4-6-14(21)7-5-12)16-8-9-18-22-17(11-27(18)24-16)23-20(28)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,23,28).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.28, 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]cyclopropanecarboxamide is sourced from PubChem (CID 118537129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).