4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

C19H24N4O4 — CID 120542948

IUPAC4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(C(=O)O)CCOCC3)c12
InChIInChI=1S/C19H24N4O4/c1-11-15-13(9-14(12-3-4-12)21-16(15)23(2)22-11)17(24)20-10-19(18(25)26)5-7-27-8-6-19/h9,12H,3-8,10H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyOLAJTPOBKAADDO-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.77
Rot. Bonds5

About 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542948) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120542948
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(C(=O)O)CCOCC3)c12
InChIInChI=1S/C19H24N4O4/c1-11-15-13(9-14(12-3-4-12)21-16(15)23(2)22-11)17(24)20-10-19(18(25)26)5-7-27-8-6-19/h9,12H,3-8,10H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyOLAJTPOBKAADDO-UHFFFAOYSA-N
XLogP1.77
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541557
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120542948) is 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(C(=O)O)CCOCC3)c12.
What is the InChIKey of 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is OLAJTPOBKAADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-11-15-13(9-14(12-3-4-12)21-16(15)23(2)22-11)17(24)20-10-19(18(25)26)5-7-27-8-6-19/h9,12H,3-8,10H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 372.43 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 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).