2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid

C16H20N4O3 — CID 120517676

IUPAC2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H20N4O3/c1-9(2)20-15-13(7-17-20)12(6-10(3)18-15)16(23)19(8-14(21)22)11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyVHGDUKJAJNVKHP-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.01
Rot. Bonds5

About 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid

2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid (PubChem CID 120517676) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
PubChem CID120517676
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H20N4O3/c1-9(2)20-15-13(7-17-20)12(6-10(3)18-15)16(23)19(8-14(21)22)11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyVHGDUKJAJNVKHP-UHFFFAOYSA-N
XLogP2.01
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119529873
N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119194915
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
N-cyclopropyl-6-methyl-1-propan-2-yl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51960144
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43054671
N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86833507
3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120535917
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
8-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]octanoic acid
CID 120535674

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid (CID 120517676) is 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is VHGDUKJAJNVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9(2)20-15-13(7-17-20)12(6-10(3)18-15)16(23)19(8-14(21)22)11-4-5-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid?
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120517676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).