4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid

C23H23N5O4 — CID 165437044

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1
InChIInChI=1S/C23H23N5O4/c1-12-11-31-7-6-28(12)20-10-19(21-13(2)27-32-14(21)3)25-22(26-20)17-8-15(23(29)30)9-18-16(17)4-5-24-18/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,29,30)
InChIKeyYUCJOODOVVSWDW-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.82
Rot. Bonds4

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid (PubChem CID 165437044) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid
PubChem CID165437044
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1
InChIInChI=1S/C23H23N5O4/c1-12-11-31-7-6-28(12)20-10-19(21-13(2)27-32-14(21)3)25-22(26-20)17-8-15(23(29)30)9-18-16(17)4-5-24-18/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,29,30)
InChIKeyYUCJOODOVVSWDW-UHFFFAOYSA-N
XLogP3.82
TPSA117.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid 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-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid (CID 165437044) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid is Cc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The InChIKey is YUCJOODOVVSWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-12-11-31-7-6-28(12)20-10-19(21-13(2)27-32-14(21)3)25-22(26-20)17-8-15(23(29)30)9-18-16(17)4-5-24-18/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,29,30).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid has a molecular weight of 433.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 165437044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).