2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid

C26H25N7O4 — CID 178108897

IUPAC2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
SMILESCc1c(-c2ccc(-n3cnn(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)C(=O)O)c2)C1=O
InChIInChI=1S/C26H25N7O4/c1-16-21(17-6-8-19(9-7-17)33-15-29-30(2)25(33)36)10-11-28-23(16)32-13-12-31(26(32)37)20-5-3-4-18(14-20)22(27)24(34)35/h3-11,14-15,22H,12-13,27H2,1-2H3,(H,34,35)
InChIKeyQIURMYDZWGZKAU-UHFFFAOYSA-N
MW499.53 g/mol
LogP2.47
Rot. Bonds6

About 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid

2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid (PubChem CID 178108897) has the molecular formula C26H25N7O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
PubChem CID178108897
Molecular FormulaC26H25N7O4
Molecular Weight499.53 g/mol
Exact Mass499.20
IUPAC Name2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
SMILESCc1c(-c2ccc(-n3cnn(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)C(=O)O)c2)C1=O
InChIInChI=1S/C26H25N7O4/c1-16-21(17-6-8-19(9-7-17)33-15-29-30(2)25(33)36)10-11-28-23(16)32-13-12-31(26(32)37)20-5-3-4-18(14-20)22(27)24(34)35/h3-11,14-15,22H,12-13,27H2,1-2H3,(H,34,35)
InChIKeyQIURMYDZWGZKAU-UHFFFAOYSA-N
XLogP2.47
TPSA139.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid with MolForge

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Related Compounds

3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178109286
2-methyl-4-[4-[3-methyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-2-phenoxyphenyl]-1,2,4-triazol-3-one
CID 178108947
3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109284
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
3-[3-[1-ethyl-5-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109518
3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109222
2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid
CID 117369952
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378
3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109310
3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108870
3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109172
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid (CID 178108897) is 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid is Cc1c(-c2ccc(-n3cnn(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(N)C(=O)O)c2)C1=O.
What is the InChIKey of 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid?
The InChIKey is QIURMYDZWGZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4/c1-16-21(17-6-8-19(9-7-17)33-15-29-30(2)25(33)36)10-11-28-23(16)32-13-12-31(26(32)37)20-5-3-4-18(14-20)22(27)24(34)35/h3-11,14-15,22H,12-13,27H2,1-2H3,(H,34,35).
What are the key properties of 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid?
2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid has a molecular weight of 499.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 178108897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).