1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one

C18H23N3O3 — CID 165392905

IUPAC1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(Cn2ncc3c(c2=O)CC(C)CN3CCO)cc1
InChIInChI=1S/C18H23N3O3/c1-13-9-16-17(20(11-13)7-8-22)10-19-21(18(16)23)12-14-3-5-15(24-2)6-4-14/h3-6,10,13,22H,7-9,11-12H2,1-2H3
InChIKeyPVPZYCMPHIRMBA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.29
Rot. Bonds5

About 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one

1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 165392905) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one
PubChem CID165392905
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(Cn2ncc3c(c2=O)CC(C)CN3CCO)cc1
InChIInChI=1S/C18H23N3O3/c1-13-9-16-17(20(11-13)7-8-22)10-19-21(18(16)23)12-14-3-5-15(24-2)6-4-14/h3-6,10,13,22H,7-9,11-12H2,1-2H3
InChIKeyPVPZYCMPHIRMBA-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 174354466
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165393026
7-chloro-5-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165392792
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 141389743
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one (CID 165392905) is 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one is COc1ccc(Cn2ncc3c(c2=O)CC(C)CN3CCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is PVPZYCMPHIRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-9-16-17(20(11-13)7-8-22)10-19-21(18(16)23)12-14-3-5-15(24-2)6-4-14/h3-6,10,13,22H,7-9,11-12H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one?
1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 165392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).