3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

C23H17ClN6O — CID 141429628

IUPAC3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C23H17ClN6O/c1-15-7-8-19(28-23(31)16-4-2-5-18(24)10-16)11-20(15)29-14-17(12-27-29)21-13-25-22-6-3-9-26-30(21)22/h2-14H,1H3,(H,28,31)
InChIKeyAZTXEXSCWBYKOB-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.80
Rot. Bonds4

About 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (PubChem CID 141429628) has the molecular formula C23H17ClN6O and a molecular weight of 428.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
PubChem CID141429628
Molecular FormulaC23H17ClN6O
Molecular Weight428.88 g/mol
Exact Mass428.12
IUPAC Name3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C23H17ClN6O/c1-15-7-8-19(28-23(31)16-4-2-5-18(24)10-16)11-20(15)29-14-17(12-27-29)21-13-25-22-6-3-9-26-30(21)22/h2-14H,1H3,(H,28,31)
InChIKeyAZTXEXSCWBYKOB-UHFFFAOYSA-N
XLogP4.80
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (CID 141429628) is 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cc(-c2cnc3cccnn23)cn1.
What is the InChIKey of 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The InChIKey is AZTXEXSCWBYKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O/c1-15-7-8-19(28-23(31)16-4-2-5-18(24)10-16)11-20(15)29-14-17(12-27-29)21-13-25-22-6-3-9-26-30(21)22/h2-14H,1H3,(H,28,31).
What are the key properties of 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide has a molecular weight of 428.88 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 141429628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).