2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid

C20H22N4O4 — CID 120531682

IUPAC2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCn1ncc2c(C(=O)NC(C)(COC)C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H22N4O4/c1-4-24-17-15(11-21-24)14(10-16(22-17)13-8-6-5-7-9-13)18(25)23-20(2,12-28-3)19(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyMIJXTGQQVOBYCJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.34
Rot. Bonds7

About 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid

2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120531682) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120531682
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCn1ncc2c(C(=O)NC(C)(COC)C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H22N4O4/c1-4-24-17-15(11-21-24)14(10-16(22-17)13-8-6-5-7-9-13)18(25)23-20(2,12-28-3)19(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyMIJXTGQQVOBYCJ-UHFFFAOYSA-N
XLogP2.34
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532182
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43041617
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
1-ethyl-6-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859789
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43041655

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid (CID 120531682) is 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid is CCn1ncc2c(C(=O)NC(C)(COC)C(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is MIJXTGQQVOBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-24-17-15(11-21-24)14(10-16(22-17)13-8-6-5-7-9-13)18(25)23-20(2,12-28-3)19(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27).
What are the key properties of 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 382.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).