3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine

C24H25N5O5S — CID 165060125

IUPAC3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine
SMILESCCOc1cccc(-c2nc3nnc(CS(=O)(=O)C4CC4)cc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C24H25N5O5S/c1-4-34-21-10-5-7-17(25-21)24-26-23-18(13-15(27-28-23)14-35(30,31)16-11-12-16)29(24)22-19(32-2)8-6-9-20(22)33-3/h5-10,13,16H,4,11-12,14H2,1-3H3
InChIKeyRBHSLFSQSFJOHQ-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.37
Rot. Bonds9

About 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine

3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine (PubChem CID 165060125) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine
PubChem CID165060125
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine
SMILESCCOc1cccc(-c2nc3nnc(CS(=O)(=O)C4CC4)cc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C24H25N5O5S/c1-4-34-21-10-5-7-17(25-21)24-26-23-18(13-15(27-28-23)14-35(30,31)16-11-12-16)29(24)22-19(32-2)8-6-9-20(22)33-3/h5-10,13,16H,4,11-12,14H2,1-3H3
InChIKeyRBHSLFSQSFJOHQ-UHFFFAOYSA-N
XLogP3.37
TPSA118.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
CID 146509396
[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 175806574
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-[(5-fluoropyrimidin-2-yl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165098917
1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-amine
CID 146463242
N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 146463237
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(3-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165104258
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(4-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 164968634
3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine
CID 165002009
benzyl 4-[[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methylsulfonylmethyl]piperidine-1-carboxylate
CID 165098821
2-[(2R,3S)-3-[[4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-methylpyrimidine
CID 149361448
2-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-4-(difluoromethyl)benzenesulfonamide
CID 175729155
N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]-4-hydroxypyridin-1-ium-1-sulfonamide
CID 166002238

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine?
The IUPAC name of 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine (CID 165060125) is 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine.
What is the SMILES notation for 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine?
The canonical SMILES for 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine is CCOc1cccc(-c2nc3nnc(CS(=O)(=O)C4CC4)cc3n2-c2c(OC)cccc2OC)n1.
What is the InChIKey of 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine?
The InChIKey is RBHSLFSQSFJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-4-34-21-10-5-7-17(25-21)24-26-23-18(13-15(27-28-23)14-35(30,31)16-11-12-16)29(24)22-19(32-2)8-6-9-20(22)33-3/h5-10,13,16H,4,11-12,14H2,1-3H3.
What are the key properties of 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine?
3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine has a molecular weight of 495.56 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine is sourced from PubChem (CID 165060125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).