3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride

C20H24ClN5O — CID 69028039

IUPAC3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
SMILESCOc1cc(-c2ccc(N3CCCC3C)nn2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-12-24(13-21-14)18-8-6-16(11-19(18)26-3)17-7-9-20(23-22-17)25-10-4-5-15(25)2;/h6-9,11-13,15H,4-5,10H2,1-3H3;1H
InChIKeyXIJQQTJKIJQMSK-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.06
Rot. Bonds4

About 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride (PubChem CID 69028039) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
PubChem CID69028039
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
SMILESCOc1cc(-c2ccc(N3CCCC3C)nn2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-12-24(13-21-14)18-8-6-16(11-19(18)26-3)17-7-9-20(23-22-17)25-10-4-5-15(25)2;/h6-9,11-13,15H,4-5,10H2,1-3H3;1H
InChIKeyXIJQQTJKIJQMSK-UHFFFAOYSA-N
XLogP4.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
CID 42632845
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
CID 42632668
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
CID 42632659
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822
1-[1-[bis(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazole
CID 59472503
ethyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 66608063
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-2-one
CID 59472614
1-(4-tert-butylphenyl)-4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidine
CID 59472447
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
CID 42632791
(9S)-9-(3,5-difluorophenoxy)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazine
CID 126704165

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride?
The IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride (CID 69028039) is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride.
What is the SMILES notation for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride?
The canonical SMILES for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride is COc1cc(-c2ccc(N3CCCC3C)nn2)ccc1-n1cnc(C)c1.Cl.
What is the InChIKey of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride?
The InChIKey is XIJQQTJKIJQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-14-12-24(13-21-14)18-8-6-16(11-19(18)26-3)17-7-9-20(23-22-17)25-10-4-5-15(25)2;/h6-9,11-13,15H,4-5,10H2,1-3H3;1H.
What are the key properties of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride?
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride is sourced from PubChem (CID 69028039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).