2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide

C12H17N5O — CID 43710001

IUPAC2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H17N5O/c1-4-10(13)12(18)15-8-5-9-7(2)16-17(3)11(9)14-6-8/h5-6,10H,4,13H2,1-3H3,(H,15,18)
InChIKeyFVAOXBGLXMVIIX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide

2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide (PubChem CID 43710001) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
PubChem CID43710001
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H17N5O/c1-4-10(13)12(18)15-8-5-9-7(2)16-17(3)11(9)14-6-8/h5-6,10H,4,13H2,1-3H3,(H,15,18)
InChIKeyFVAOXBGLXMVIIX-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
CID 64896286
2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 65225358
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 62637301
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylpentanamide
CID 104684058
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794620
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide (CID 43710001) is 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide is CCC(N)C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The InChIKey is FVAOXBGLXMVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-10(13)12(18)15-8-5-9-7(2)16-17(3)11(9)14-6-8/h5-6,10H,4,13H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 43710001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).