N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide

C24H16ClN5O — CID 59759608

IUPACN-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2c(-c3cccc(Cl)c3)nc3cccnn23)ccn1)c1ccccc1
InChIInChI=1S/C24H16ClN5O/c25-19-9-4-8-17(14-19)22-23(30-21(29-22)10-5-12-27-30)18-11-13-26-20(15-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H,26,28,31)
InChIKeyQQJWMGJEEXBGSZ-UHFFFAOYSA-N
MW425.88 g/mol
LogP5.36
Rot. Bonds4

About N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide

N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (PubChem CID 59759608) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
PubChem CID59759608
Molecular FormulaC24H16ClN5O
Molecular Weight425.88 g/mol
Exact Mass425.10
IUPAC NameN-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2c(-c3cccc(Cl)c3)nc3cccnn23)ccn1)c1ccccc1
InChIInChI=1S/C24H16ClN5O/c25-19-9-4-8-17(14-19)22-23(30-21(29-22)10-5-12-27-30)18-11-13-26-20(15-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H,26,28,31)
InChIKeyQQJWMGJEEXBGSZ-UHFFFAOYSA-N
XLogP5.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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PF-06446846
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(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
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4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
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4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
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CID 53319647
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide (CID 59759608) is N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is O=C(Nc1cc(-c2c(-c3cccc(Cl)c3)nc3cccnn23)ccn1)c1ccccc1.
What is the InChIKey of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is QQJWMGJEEXBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O/c25-19-9-4-8-17(14-19)22-23(30-21(29-22)10-5-12-27-30)18-11-13-26-20(15-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H,26,28,31).
What are the key properties of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide?
N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 425.88 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 59759608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).