2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride

C11H16ClN5O2 — CID 120987482

IUPAC2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cnc2n[nH]c(C)c2c1.Cl
InChIInChI=1S/C11H15N5O2.ClH/c1-6-8-3-7(4-13-10(8)16-15-6)14-11(17)9(12)5-18-2;/h3-4,9H,5,12H2,1-2H3,(H,14,17)(H,13,15,16);1H
InChIKeyURBNSIPRHUDDDZ-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.60
Rot. Bonds4

About 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride

2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride (PubChem CID 120987482) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride
PubChem CID120987482
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cnc2n[nH]c(C)c2c1.Cl
InChIInChI=1S/C11H15N5O2.ClH/c1-6-8-3-7(4-13-10(8)16-15-6)14-11(17)9(12)5-18-2;/h3-4,9H,5,12H2,1-2H3,(H,14,17)(H,13,15,16);1H
InChIKeyURBNSIPRHUDDDZ-UHFFFAOYSA-N
XLogP0.60
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxypropanamide
CID 104618673
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
CID 86843524
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843450
2-amino-3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 81088554
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
CID 75447177
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride (CID 120987482) is 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride is COCC(N)C(=O)Nc1cnc2n[nH]c(C)c2c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride?
The InChIKey is URBNSIPRHUDDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2.ClH/c1-6-8-3-7(4-13-10(8)16-15-6)14-11(17)9(12)5-18-2;/h3-4,9H,5,12H2,1-2H3,(H,14,17)(H,13,15,16);1H.
What are the key properties of 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride?
2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride has a molecular weight of 285.74 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 120987482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).