2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride

C18H19Cl2N5O5 — CID 135205382

IUPAC2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
SMILESCOCCC(C(=O)O)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.Cl
InChIInChI=1S/C18H18ClN5O5.ClH/c1-28-6-5-15(18(26)27)23-9-16(29-2)13(8-17(23)25)12-7-11(19)3-4-14(12)24-10-20-21-22-24;/h3-4,7-10,15H,5-6H2,1-2H3,(H,26,27);1H
InChIKeyREZLMPZGXAUTAO-UHFFFAOYSA-N
MW456.29 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride (PubChem CID 135205382) has the molecular formula C18H19Cl2N5O5 and a molecular weight of 456.29 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
PubChem CID135205382
Molecular FormulaC18H19Cl2N5O5
Molecular Weight456.29 g/mol
Exact Mass455.08
IUPAC Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
SMILESCOCCC(C(=O)O)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.Cl
InChIInChI=1S/C18H18ClN5O5.ClH/c1-28-6-5-15(18(26)27)23-9-16(29-2)13(8-17(23)25)12-7-11(19)3-4-14(12)24-10-20-21-22-24;/h3-4,7-10,15H,5-6H2,1-2H3,(H,26,27);1H
InChIKeyREZLMPZGXAUTAO-UHFFFAOYSA-N
XLogP2.24
TPSA121.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride with MolForge

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Related Compounds

2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid
CID 135205840
butyl 2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoate
CID 150160816
2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205913
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
CID 135204928
4-[3-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]benzoic acid
CID 160679709
4-[[2-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135206033
4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
CID 135205876
2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 122550195
1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
CID 168875768
4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
CID 166879599
(2S)-N-[3-chloro-4-(2H-tetrazol-5-yl)phenyl]-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(oxan-2-yl)propanamide
CID 168873629
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride?
The IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride (CID 135205382) is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride.
What is the SMILES notation for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride?
The canonical SMILES for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride is COCCC(C(=O)O)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.Cl.
What is the InChIKey of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride?
The InChIKey is REZLMPZGXAUTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O5.ClH/c1-28-6-5-15(18(26)27)23-9-16(29-2)13(8-17(23)25)12-7-11(19)3-4-14(12)24-10-20-21-22-24;/h3-4,7-10,15H,5-6H2,1-2H3,(H,26,27);1H.
What are the key properties of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride?
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride has a molecular weight of 456.29 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride is sourced from PubChem (CID 135205382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).