6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one

C23H24N4O4 — CID 134604370

IUPAC6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1ccc(-c2noc(C)c2COc2cc3c(cn2)C(=O)N(C2CCOCC2)C3)cn1
InChIInChI=1S/C23H24N4O4/c1-14-3-4-16(10-24-14)22-20(15(2)31-26-22)13-30-21-9-17-12-27(18-5-7-29-8-6-18)23(28)19(17)11-25-21/h3-4,9-11,18H,5-8,12-13H2,1-2H3
InChIKeyIZIWQEMYKBYTJE-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.46
Rot. Bonds5

About 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 134604370) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID134604370
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1ccc(-c2noc(C)c2COc2cc3c(cn2)C(=O)N(C2CCOCC2)C3)cn1
InChIInChI=1S/C23H24N4O4/c1-14-3-4-16(10-24-14)22-20(15(2)31-26-22)13-30-21-9-17-12-27(18-5-7-29-8-6-18)23(28)19(17)11-25-21/h3-4,9-11,18H,5-8,12-13H2,1-2H3
InChIKeyIZIWQEMYKBYTJE-UHFFFAOYSA-N
XLogP3.46
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 134604370) is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one is Cc1ccc(-c2noc(C)c2COc2cc3c(cn2)C(=O)N(C2CCOCC2)C3)cn1.
What is the InChIKey of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is IZIWQEMYKBYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-3-4-16(10-24-14)22-20(15(2)31-26-22)13-30-21-9-17-12-27(18-5-7-29-8-6-18)23(28)19(17)11-25-21/h3-4,9-11,18H,5-8,12-13H2,1-2H3.
What are the key properties of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one?
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 420.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-2-(oxan-4-yl)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134604370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).