methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate

C13H16N4O4 — CID 43409851

IUPACmethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H16N4O4/c1-7-9-4-8(5-14-11(9)17(2)16-7)12(19)15-10(6-18)13(20)21-3/h4-5,10,18H,6H2,1-3H3,(H,15,19)
InChIKeyPHUWUNKQAJSTMN-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.46
Rot. Bonds4

About methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate

methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 43409851) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
PubChem CID43409851
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H16N4O4/c1-7-9-4-8(5-14-11(9)17(2)16-7)12(19)15-10(6-18)13(20)21-3/h4-5,10,18H,6H2,1-3H3,(H,15,19)
InChIKeyPHUWUNKQAJSTMN-UHFFFAOYSA-N
XLogP-0.46
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
(E)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]hex-4-enoic acid
CID 120692869
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119666075

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate (CID 43409851) is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is PHUWUNKQAJSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-9-4-8(5-14-11(9)17(2)16-7)12(19)15-10(6-18)13(20)21-3/h4-5,10,18H,6H2,1-3H3,(H,15,19).
What are the key properties of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 292.30 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).