2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one

C22H23N5O — CID 24889168

IUPAC2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one
SMILESCc1cccc(C)c1CNc1cc(-n2ncccc2=O)cn2c(C)c(C)nc12
InChIInChI=1S/C22H23N5O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(27-21(28)9-6-10-24-27)13-26-17(4)16(3)25-22(20)26/h5-11,13,23H,12H2,1-4H3
InChIKeyLRZALAWCYDMOCP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.73
Rot. Bonds4

About 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one

2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one (PubChem CID 24889168) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one
PubChem CID24889168
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one
SMILESCc1cccc(C)c1CNc1cc(-n2ncccc2=O)cn2c(C)c(C)nc12
InChIInChI=1S/C22H23N5O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(27-21(28)9-6-10-24-27)13-26-17(4)16(3)25-22(20)26/h5-11,13,23H,12H2,1-4H3
InChIKeyLRZALAWCYDMOCP-UHFFFAOYSA-N
XLogP3.73
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one?
The IUPAC name of 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one (CID 24889168) is 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one.
What is the SMILES notation for 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one?
The canonical SMILES for 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one is Cc1cccc(C)c1CNc1cc(-n2ncccc2=O)cn2c(C)c(C)nc12.
What is the InChIKey of 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one?
The InChIKey is LRZALAWCYDMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(27-21(28)9-6-10-24-27)13-26-17(4)16(3)25-22(20)26/h5-11,13,23H,12H2,1-4H3.
What are the key properties of 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one?
2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one has a molecular weight of 373.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridazin-3-one is sourced from PubChem (CID 24889168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).