2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid

C20H15Cl2N3O5 — CID 54739149

IUPAC2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H15Cl2N3O5/c21-13-7-5-11(6-8-13)17-18(28)16(19(29)23-9-15(26)27)20(30)25(24-17)10-12-3-1-2-4-14(12)22/h1-8,28H,9-10H2,(H,23,29)(H,26,27)
InChIKeyHEOPFJSSSOIAQA-UHFFFAOYSA-N
MW448.26 g/mol
LogP2.79
Rot. Bonds6

About 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid

2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid (PubChem CID 54739149) has the molecular formula C20H15Cl2N3O5 and a molecular weight of 448.26 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
PubChem CID54739149
Molecular FormulaC20H15Cl2N3O5
Molecular Weight448.26 g/mol
Exact Mass447.04
IUPAC Name2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H15Cl2N3O5/c21-13-7-5-11(6-8-13)17-18(28)16(19(29)23-9-15(26)27)20(30)25(24-17)10-12-3-1-2-4-14(12)22/h1-8,28H,9-10H2,(H,23,29)(H,26,27)
InChIKeyHEOPFJSSSOIAQA-UHFFFAOYSA-N
XLogP2.79
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[[2-[(2-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739138
2-[[2-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739156
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889
ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 68812088
(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 67105909
2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238073
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238170
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid (CID 54739149) is 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(-c2ccc(Cl)cc2)nn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid?
The InChIKey is HEOPFJSSSOIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O5/c21-13-7-5-11(6-8-13)17-18(28)16(19(29)23-9-15(26)27)20(30)25(24-17)10-12-3-1-2-4-14(12)22/h1-8,28H,9-10H2,(H,23,29)(H,26,27).
What are the key properties of 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid?
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid has a molecular weight of 448.26 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 54739149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).