1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone

C14H13N5O — CID 11529112

IUPAC1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc2n[nH]c(N)c2c1-c1cccnc1
InChIInChI=1S/C14H13N5O/c1-7-10(8(2)20)11(9-4-3-5-16-6-9)12-13(15)18-19-14(12)17-7/h3-6H,1-2H3,(H3,15,17,18,19)
InChIKeyFMEALEARTOJTRC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone

1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone (PubChem CID 11529112) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
PubChem CID11529112
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc2n[nH]c(N)c2c1-c1cccnc1
InChIInChI=1S/C14H13N5O/c1-7-10(8(2)20)11(9-4-3-5-16-6-9)12-13(15)18-19-14(12)17-7/h3-6H,1-2H3,(H3,15,17,18,19)
InChIKeyFMEALEARTOJTRC-UHFFFAOYSA-N
XLogP2.11
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 116648034
3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 118712699
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
3-methyl-2-pyridin-3-ylaniline
CID 22482419
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
CID 70671365
[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 70671721

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone (CID 11529112) is 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone is CC(=O)c1c(C)nc2n[nH]c(N)c2c1-c1cccnc1.
What is the InChIKey of 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The InChIKey is FMEALEARTOJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-7-10(8(2)20)11(9-4-3-5-16-6-9)12-13(15)18-19-14(12)17-7/h3-6H,1-2H3,(H3,15,17,18,19).
What are the key properties of 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methyl-4-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 11529112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).