5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol

C21H24N4O2 — CID 165024940

IUPAC5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(CCC3CN(C)CCO3)c3cnccc23)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-14-3-5-17(20(26)11-14)21-16-7-8-22-12-18(16)19(23-24-21)6-4-15-13-25(2)9-10-27-15/h3,5,7-8,11-12,15,26H,4,6,9-10,13H2,1-2H3
InChIKeyBABQXBRYWDDZER-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.97
Rot. Bonds4

About 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol

5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol (PubChem CID 165024940) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
PubChem CID165024940
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(CCC3CN(C)CCO3)c3cnccc23)c(O)c1
InChIInChI=1S/C21H24N4O2/c1-14-3-5-17(20(26)11-14)21-16-7-8-22-12-18(16)19(23-24-21)6-4-15-13-25(2)9-10-27-15/h3,5,7-8,11-12,15,26H,4,6,9-10,13H2,1-2H3
InChIKeyBABQXBRYWDDZER-UHFFFAOYSA-N
XLogP2.97
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol with MolForge

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Related Compounds

5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 167555748
2-[4-(3-methoxy-3-methylbutyl)pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 165023400
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703
2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 171057776
5-ethynyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 168973541
2-[4-[(4-fluorophenyl)methylamino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 178140888
N-[(3R)-1-methylpiperidin-3-yl]-1-[4-methyl-2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852574
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]benzonitrile
CID 171852773
(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 79077110
1-[2-(difluoromethyl)-4-methylphenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine;formic acid
CID 175599267
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol (CID 165024940) is 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol is Cc1ccc(-c2nnc(CCC3CN(C)CCO3)c3cnccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is BABQXBRYWDDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-3-5-17(20(26)11-14)21-16-7-8-22-12-18(16)19(23-24-21)6-4-15-13-25(2)9-10-27-15/h3,5,7-8,11-12,15,26H,4,6,9-10,13H2,1-2H3.
What are the key properties of 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 364.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 165024940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).