5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide

C20H24N6O3 — CID 171819848

IUPAC5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
SMILESCCn1nc(C(=O)NC)c2c(-c3c(C)ccc(OC)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C20H24N6O3/c1-6-26-19-14(16(25-26)20(28)23-4)13(15(21)17(24-19)18(22)27)12-9(2)7-8-11(29-5)10(12)3/h7-8H,6,21H2,1-5H3,(H2,22,27)(H,23,28)
InChIKeyPDFXJRNCCCBVBA-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.78
Rot. Bonds5

About 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide

5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide (PubChem CID 171819848) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
PubChem CID171819848
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
SMILESCCn1nc(C(=O)NC)c2c(-c3c(C)ccc(OC)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C20H24N6O3/c1-6-26-19-14(16(25-26)20(28)23-4)13(15(21)17(24-19)18(22)27)12-9(2)7-8-11(29-5)10(12)3/h7-8H,6,21H2,1-5H3,(H2,22,27)(H,23,28)
InChIKeyPDFXJRNCCCBVBA-UHFFFAOYSA-N
XLogP1.78
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide?
The IUPAC name of 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide (CID 171819848) is 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide.
What is the SMILES notation for 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide?
The canonical SMILES for 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide is CCn1nc(C(=O)NC)c2c(-c3c(C)ccc(OC)c3C)c(N)c(C(N)=O)nc21.
What is the InChIKey of 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide?
The InChIKey is PDFXJRNCCCBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-6-26-19-14(16(25-26)20(28)23-4)13(15(21)17(24-19)18(22)27)12-9(2)7-8-11(29-5)10(12)3/h7-8H,6,21H2,1-5H3,(H2,22,27)(H,23,28).
What are the key properties of 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide?
5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide is sourced from PubChem (CID 171819848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).