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

C22H15ClFN7O — CID 118537195

IUPAC5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cncc(Cl)c4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H15ClFN7O/c1-30-11-17(21(29-30)13-2-4-16(24)5-3-13)18-6-7-20-26-19(12-31(20)28-18)27-22(32)14-8-15(23)10-25-9-14/h2-12H,1H3,(H,27,32)
InChIKeyIETIDFVDTLXZAI-UHFFFAOYSA-N
MW447.86 g/mol
LogP4.24
Rot. Bonds4

About 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide

5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (PubChem CID 118537195) has the molecular formula C22H15ClFN7O and a molecular weight of 447.86 g/mol. Its IUPAC name is 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
PubChem CID118537195
Molecular FormulaC22H15ClFN7O
Molecular Weight447.86 g/mol
Exact Mass447.10
IUPAC Name5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cncc(Cl)c4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H15ClFN7O/c1-30-11-17(21(29-30)13-2-4-16(24)5-3-13)18-6-7-20-26-19(12-31(20)28-18)27-22(32)14-8-15(23)10-25-9-14/h2-12H,1H3,(H,27,32)
InChIKeyIETIDFVDTLXZAI-UHFFFAOYSA-N
XLogP4.24
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (CID 118537195) is 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4cncc(Cl)c4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The InChIKey is IETIDFVDTLXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN7O/c1-30-11-17(21(29-30)13-2-4-16(24)5-3-13)18-6-7-20-26-19(12-31(20)28-18)27-22(32)14-8-15(23)10-25-9-14/h2-12H,1H3,(H,27,32).
What are the key properties of 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide has a molecular weight of 447.86 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118537195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).