2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid

C22H22N4O5 — CID 54739224

IUPAC2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
SMILESCC(C)c1nn(Cc2ccc(-c3ccncc3)cc2)c(=O)c(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C22H22N4O5/c1-13(2)19-20(29)18(21(30)24-11-17(27)28)22(31)26(25-19)12-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10,13,29H,11-12H2,1-2H3,(H,24,30)(H,27,28)
InChIKeyHGYSLVHGPRECQQ-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.00
Rot. Bonds7

About 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid

2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid (PubChem CID 54739224) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
PubChem CID54739224
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
SMILESCC(C)c1nn(Cc2ccc(-c3ccncc3)cc2)c(=O)c(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C22H22N4O5/c1-13(2)19-20(29)18(21(30)24-11-17(27)28)22(31)26(25-19)12-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10,13,29H,11-12H2,1-2H3,(H,24,30)(H,27,28)
InChIKeyHGYSLVHGPRECQQ-UHFFFAOYSA-N
XLogP2.00
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-hydroxy-2-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-3-oxo-6-propan-2-ylpyridazine-4-carbonyl]amino]acetic acid
CID 54739209
4-[4-[[5-(carboxymethylcarbamoyl)-4-hydroxy-6-oxo-3-propan-2-ylpyridazin-1-yl]methyl]-3-fluorophenyl]benzoic acid
CID 54739230
2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[2-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739156
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
CID 143725573
2-[[2-[(2-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739138
2-[[5-hydroxy-2-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-3-oxo-6-propylpyridazine-4-carbonyl]amino]acetic acid
CID 69014477
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-[[2,4-dioxo-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carbonyl]amino]acetic acid
CID 123407490

Frequently Asked Questions

What is the IUPAC name of 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid (CID 54739224) is 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid is CC(C)c1nn(Cc2ccc(-c3ccncc3)cc2)c(=O)c(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The InChIKey is HGYSLVHGPRECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-13(2)19-20(29)18(21(30)24-11-17(27)28)22(31)26(25-19)12-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10,13,29H,11-12H2,1-2H3,(H,24,30)(H,27,28).
What are the key properties of 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid has a molecular weight of 422.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 54739224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).