4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one

C32H33ClN4O5 — CID 158903216

IUPAC4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
SMILESCOc1cn(C(CCOC(C)(C)C)C(=O)Cc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-c1cnco1
InChIInChI=1S/C32H33ClN4O5/c1-32(2,3)42-11-10-27(28(38)13-20-6-9-26-21(12-20)17-36(4)35-26)37-18-30(40-5)25(15-31(37)39)24-14-22(33)7-8-23(24)29-16-34-19-41-29/h6-9,12,14-19,27H,10-11,13H2,1-5H3
InChIKeyJFSCAZSPWMBMKN-UHFFFAOYSA-N
MW589.09 g/mol
LogP6.28
Rot. Bonds10

About 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one

4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one (PubChem CID 158903216) has the molecular formula C32H33ClN4O5 and a molecular weight of 589.09 g/mol. Its IUPAC name is 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
PubChem CID158903216
Molecular FormulaC32H33ClN4O5
Molecular Weight589.09 g/mol
Exact Mass588.21
IUPAC Name4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
SMILESCOc1cn(C(CCOC(C)(C)C)C(=O)Cc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-c1cnco1
InChIInChI=1S/C32H33ClN4O5/c1-32(2,3)42-11-10-27(28(38)13-20-6-9-26-21(12-20)17-36(4)35-26)37-18-30(40-5)25(15-31(37)39)24-14-22(33)7-8-23(24)29-16-34-19-41-29/h6-9,12,14-19,27H,10-11,13H2,1-5H3
InChIKeyJFSCAZSPWMBMKN-UHFFFAOYSA-N
XLogP6.28
TPSA101.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.09
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one (CID 158903216) is 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one is COc1cn(C(CCOC(C)(C)C)C(=O)Cc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-c1cnco1.
What is the InChIKey of 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?
The InChIKey is JFSCAZSPWMBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O5/c1-32(2,3)42-11-10-27(28(38)13-20-6-9-26-21(12-20)17-36(4)35-26)37-18-30(40-5)25(15-31(37)39)24-14-22(33)7-8-23(24)29-16-34-19-41-29/h6-9,12,14-19,27H,10-11,13H2,1-5H3.
What are the key properties of 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one?
4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one has a molecular weight of 589.09 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one is sourced from PubChem (CID 158903216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).