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Enaroy

C17H18N4O4 — CID 164512666

💊View drug profile → enarodustat

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O
InChIInChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyDQTXKMATEZTTTQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.70
Rot. Bonds6

About Enaroy

Enaroy (PubChem CID 164512666) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound NameEnaroy
PubChem CID164512666
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O
InChIInChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyDQTXKMATEZTTTQ-UHFFFAOYSA-N
XLogP0.70
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Jtz-951
CID 50899324
JTZ-951 hydrochloride
CID 67049587
2-[[5-[2-(4-fluorophenyl)ethyl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid;hydrochloride
CID 67050409
2-[[5-[2-(4-fluorophenyl)ethyl]-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67050410
(2S)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid;hydrochloride
CID 67049863
(2S)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid
CID 67049864
(2R)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid;hydrochloride
CID 67049903
(2R)-2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]propanoic acid
CID 67049904
2-[[7-oxo-5-(3-phenylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 67050158
CID 139529604
CID 139529604
2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
CID 169087898

Frequently Asked Questions

What is the IUPAC name of Enaroy?
The IUPAC name of Enaroy (CID 164512666) is 2-[[7-hydroxy-5-(2-phenylethyl)-3,5-dihydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for Enaroy?
The canonical SMILES for Enaroy is O=C(O)CNC(=O)C1=C2N=CNN2C(CCc2ccccc2)C=C1O.
What is the InChIKey of Enaroy?
The InChIKey is DQTXKMATEZTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,12,22H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24).
What are the key properties of Enaroy?
Enaroy has a molecular weight of 342.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Enaroy is sourced from PubChem (CID 164512666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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