2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid

C17H22N4O4 — CID 119215079

IUPAC2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)n1ncc2cc(C(=O)NC3(CC(=O)O)CCOCC3)cnc21
InChIInChI=1S/C17H22N4O4/c1-11(2)21-15-12(10-19-21)7-13(9-18-15)16(24)20-17(8-14(22)23)3-5-25-6-4-17/h7,9-11H,3-6,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFKFNLENAWDSOHA-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215079) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119215079
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)n1ncc2cc(C(=O)NC3(CC(=O)O)CCOCC3)cnc21
InChIInChI=1S/C17H22N4O4/c1-11(2)21-15-12(10-19-21)7-13(9-18-15)16(24)20-17(8-14(22)23)3-5-25-6-4-17/h7,9-11H,3-6,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFKFNLENAWDSOHA-UHFFFAOYSA-N
XLogP1.77
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid with MolForge

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Related Compounds

N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 120521387
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119194915
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 119215079) is 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid is CC(C)n1ncc2cc(C(=O)NC3(CC(=O)O)CCOCC3)cnc21.
What is the InChIKey of 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is FKFNLENAWDSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11(2)21-15-12(10-19-21)7-13(9-18-15)16(24)20-17(8-14(22)23)3-5-25-6-4-17/h7,9-11H,3-6,8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).