4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile

C28H23ClN4O5 — CID 158349720

IUPAC4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
SMILESCCC(=O)c1ccc(CC(=O)C(Cc2cnco2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
InChIInChI=1S/C28H23ClN4O5/c1-3-25(34)23-7-4-17(13-32-23)8-26(35)24(10-20-14-31-16-38-20)33-15-27(37-2)22(11-28(33)36)21-9-19(29)6-5-18(21)12-30/h4-7,9,11,13-16,24H,3,8,10H2,1-2H3
InChIKeyGSDXCXSZHZYSBV-UHFFFAOYSA-N
MW530.97 g/mol
LogP4.62
Rot. Bonds10

About 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile

4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (PubChem CID 158349720) has the molecular formula C28H23ClN4O5 and a molecular weight of 530.97 g/mol. Its IUPAC name is 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
PubChem CID158349720
Molecular FormulaC28H23ClN4O5
Molecular Weight530.97 g/mol
Exact Mass530.14
IUPAC Name4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
SMILESCCC(=O)c1ccc(CC(=O)C(Cc2cnco2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
InChIInChI=1S/C28H23ClN4O5/c1-3-25(34)23-7-4-17(13-32-23)8-26(35)24(10-20-14-31-16-38-20)33-15-27(37-2)22(11-28(33)36)21-9-19(29)6-5-18(21)12-30/h4-7,9,11,13-16,24H,3,8,10H2,1-2H3
InChIKeyGSDXCXSZHZYSBV-UHFFFAOYSA-N
XLogP4.62
TPSA128.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.97
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
CID 152708450
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methyl-2-oxohexyl]benzoic acid
CID 148908170
4-[(5R)-3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxohexyl]benzoic acid
CID 149365728
5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
CID 148956330
4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-1-[1-(1,4-dioxan-2-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-5-methoxypyridin-2-one
CID 153113058
5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide
CID 158742390
5-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxo-4-pyridin-4-ylbutyl]-3-fluorothiophene-2-carboxamide
CID 146870904
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(5-methyl-1,2-oxazol-3-yl)-2-oxobutyl]-2-fluorobenzamide
CID 157098749
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-ethoxy-2-oxopropyl]benzoic acid
CID 159466977
ethyl 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoate
CID 147234491
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 147980356
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxo-4-[1-(trifluoromethyl)cyclobutyl]butyl]benzoic acid
CID 160626603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The IUPAC name of 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (CID 158349720) is 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is CCC(=O)c1ccc(CC(=O)C(Cc2cnco2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1.
What is the InChIKey of 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The InChIKey is GSDXCXSZHZYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O5/c1-3-25(34)23-7-4-17(13-32-23)8-26(35)24(10-20-14-31-16-38-20)33-15-27(37-2)22(11-28(33)36)21-9-19(29)6-5-18(21)12-30/h4-7,9,11,13-16,24H,3,8,10H2,1-2H3.
What are the key properties of 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile has a molecular weight of 530.97 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-methoxy-1-[1-(1,3-oxazol-5-yl)-3-oxo-4-(6-propanoyl-3-pyridinyl)butan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is sourced from PubChem (CID 158349720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).