2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid

C16H20N4O3 — CID 122067300

IUPAC2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)N(C1CC1)C(C)C(=O)O)c(C)nn2C
InChIInChI=1S/C16H20N4O3/c1-8-13(7-12-9(2)18-19(4)14(12)17-8)15(21)20(11-5-6-11)10(3)16(22)23/h7,10-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyBSNPPXQEVKYJEZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.66
Rot. Bonds4

About 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid

2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (PubChem CID 122067300) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
PubChem CID122067300
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
SMILESCc1nc2c(cc1C(=O)N(C1CC1)C(C)C(=O)O)c(C)nn2C
InChIInChI=1S/C16H20N4O3/c1-8-13(7-12-9(2)18-19(4)14(12)17-8)15(21)20(11-5-6-11)10(3)16(22)23/h7,10-11H,5-6H2,1-4H3,(H,22,23)
InChIKeyBSNPPXQEVKYJEZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid (CID 122067300) is 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is Cc1nc2c(cc1C(=O)N(C1CC1)C(C)C(=O)O)c(C)nn2C.
What is the InChIKey of 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
The InChIKey is BSNPPXQEVKYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-8-13(7-12-9(2)18-19(4)14(12)17-8)15(21)20(11-5-6-11)10(3)16(22)23/h7,10-11H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid has a molecular weight of 316.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122067300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).