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

C20H14FN7OS — CID 118537114

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4nccs4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN7OS/c1-27-10-14(18(26-27)12-2-4-13(21)5-3-12)15-6-7-17-23-16(11-28(17)25-15)24-19(29)20-22-8-9-30-20/h2-11H,1H3,(H,24,29)
InChIKeyLXHLOJWHAIEDND-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.64
Rot. Bonds4

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

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 118537114) has the molecular formula C20H14FN7OS and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID118537114
Molecular FormulaC20H14FN7OS
Molecular Weight419.45 g/mol
Exact Mass419.10
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4nccs4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN7OS/c1-27-10-14(18(26-27)12-2-4-13(21)5-3-12)15-6-7-17-23-16(11-28(17)25-15)24-19(29)20-22-8-9-30-20/h2-11H,1H3,(H,24,29)
InChIKeyLXHLOJWHAIEDND-UHFFFAOYSA-N
XLogP3.64
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.64
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]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide (CID 118537114) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4nccs4)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]-1,3-thiazole-2-carboxamide?
The InChIKey is LXHLOJWHAIEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7OS/c1-27-10-14(18(26-27)12-2-4-13(21)5-3-12)15-6-7-17-23-16(11-28(17)25-15)24-19(29)20-22-8-9-30-20/h2-11H,1H3,(H,24,29).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.64, 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]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118537114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).