2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

C18H22N4O4 — CID 137251216

IUPAC2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc3c(O)n(CC)cc3nc2OC)o1
InChIInChI=1S/C18H22N4O4/c1-5-14-20-10(3)15(26-14)16(23)19-8-11-7-12-13(21-17(11)25-4)9-22(6-2)18(12)24/h7,9,24H,5-6,8H2,1-4H3,(H,19,23)
InChIKeyYOIVHWLNFCOTBU-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.56
Rot. Bonds6

About 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 137251216) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID137251216
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc3c(O)n(CC)cc3nc2OC)o1
InChIInChI=1S/C18H22N4O4/c1-5-14-20-10(3)15(26-14)16(23)19-8-11-7-12-13(21-17(11)25-4)9-22(6-2)18(12)24/h7,9,24H,5-6,8H2,1-4H3,(H,19,23)
InChIKeyYOIVHWLNFCOTBU-UHFFFAOYSA-N
XLogP2.56
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 137251216) is 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2cc3c(O)n(CC)cc3nc2OC)o1.
What is the InChIKey of 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is YOIVHWLNFCOTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-5-14-20-10(3)15(26-14)16(23)19-8-11-7-12-13(21-17(11)25-4)9-22(6-2)18(12)24/h7,9,24H,5-6,8H2,1-4H3,(H,19,23).
What are the key properties of 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 137251216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).