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

C10H12N4O2 — CID 57447632

IUPAC2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid
SMILESCc1cc(NC(C)C(=O)O)c2cn[nH]c2n1
InChIInChI=1S/C10H12N4O2/c1-5-3-8(13-6(2)10(15)16)7-4-11-14-9(7)12-5/h3-4,6H,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDNQMMVKLIPWKPG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.15
Rot. Bonds3

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

2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid (PubChem CID 57447632) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid
PubChem CID57447632
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid
SMILESCc1cc(NC(C)C(=O)O)c2cn[nH]c2n1
InChIInChI=1S/C10H12N4O2/c1-5-3-8(13-6(2)10(15)16)7-4-11-14-9(7)12-5/h3-4,6H,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDNQMMVKLIPWKPG-UHFFFAOYSA-N
XLogP1.15
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid (CID 57447632) is 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid is Cc1cc(NC(C)C(=O)O)c2cn[nH]c2n1.
What is the InChIKey of 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid?
The InChIKey is DNQMMVKLIPWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-3-8(13-6(2)10(15)16)7-4-11-14-9(7)12-5/h3-4,6H,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid?
2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]propanoic acid is sourced from PubChem (CID 57447632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).