3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid

C12H15N5O3 — CID 64896286

IUPAC3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
SMILESCc1nn(C)c2ncc(NC(=O)C(N)CC(=O)O)cc12
InChIInChI=1S/C12H15N5O3/c1-6-8-3-7(5-14-11(8)17(2)16-6)15-12(20)9(13)4-10(18)19/h3,5,9H,4,13H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXOUAQGRQVQIEKH-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.02
Rot. Bonds4

About 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid

3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid (PubChem CID 64896286) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
PubChem CID64896286
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
SMILESCc1nn(C)c2ncc(NC(=O)C(N)CC(=O)O)cc12
InChIInChI=1S/C12H15N5O3/c1-6-8-3-7(5-14-11(8)17(2)16-6)15-12(20)9(13)4-10(18)19/h3,5,9H,4,13H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXOUAQGRQVQIEKH-UHFFFAOYSA-N
XLogP0.02
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 65225358
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
(2R)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenoxypropanamide
CID 30342927
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(oxan-4-ylsulfonyl)propanamide
CID 97229365
3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid (CID 64896286) is 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid is Cc1nn(C)c2ncc(NC(=O)C(N)CC(=O)O)cc12.
What is the InChIKey of 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid?
The InChIKey is XOUAQGRQVQIEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6-8-3-7(5-14-11(8)17(2)16-6)15-12(20)9(13)4-10(18)19/h3,5,9H,4,13H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid?
3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64896286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).