4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine

C23H23N5O — CID 166934834

IUPAC4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine
SMILESCCc1nc(OC)ncc1-c1cc(-c2ccn(Cc3ccccc3)c2)c(C)nn1
InChIInChI=1S/C23H23N5O/c1-4-21-20(13-24-23(25-21)29-3)22-12-19(16(2)26-27-22)18-10-11-28(15-18)14-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3
InChIKeyBPBLYJIMVVNPLU-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.33
Rot. Bonds6

About 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine

4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine (PubChem CID 166934834) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine.

Molecular Properties

Compound Name4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine
PubChem CID166934834
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine
SMILESCCc1nc(OC)ncc1-c1cc(-c2ccn(Cc3ccccc3)c2)c(C)nn1
InChIInChI=1S/C23H23N5O/c1-4-21-20(13-24-23(25-21)29-3)22-12-19(16(2)26-27-22)18-10-11-28(15-18)14-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3
InChIKeyBPBLYJIMVVNPLU-UHFFFAOYSA-N
XLogP4.33
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]pyrimidine
CID 166934989
4-[[3-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrazol-1-yl]methyl]benzonitrile
CID 166934693
5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433974
4-[[1-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrrol-3-yl]methyl]benzonitrile
CID 166934665
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 175692811
1-benzyl-3-(4-bromophenyl)pyrrole
CID 175317856
8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230838
4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
CID 68913046
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
CID 167110304
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N-(1-benzylpyrrol-3-yl)-3-chloro-5-methoxypyridin-2-amine
CID 174521455

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine?
The IUPAC name of 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine (CID 166934834) is 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine.
What is the SMILES notation for 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine?
The canonical SMILES for 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine is CCc1nc(OC)ncc1-c1cc(-c2ccn(Cc3ccccc3)c2)c(C)nn1.
What is the InChIKey of 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine?
The InChIKey is BPBLYJIMVVNPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-21-20(13-24-23(25-21)29-3)22-12-19(16(2)26-27-22)18-10-11-28(15-18)14-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3.
What are the key properties of 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine?
4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine has a molecular weight of 385.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrol-3-yl)-6-(4-ethyl-2-methoxypyrimidin-5-yl)-3-methylpyridazine is sourced from PubChem (CID 166934834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).