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

C20H22N4O4 — CID 120531897

IUPAC2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C20H22N4O4/c1-12-16-14(18(25)22-20(2,11-28-4)19(26)27)10-15(13-8-6-5-7-9-13)21-17(16)24(3)23-12/h5-10H,11H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyPMHFXCYKCPBYCD-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.16
Rot. Bonds6

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

2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120531897) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120531897
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C20H22N4O4/c1-12-16-14(18(25)22-20(2,11-28-4)19(26)27)10-15(13-8-6-5-7-9-13)21-17(16)24(3)23-12/h5-10H,11H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyPMHFXCYKCPBYCD-UHFFFAOYSA-N
XLogP2.16
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531682
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522873
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
methyl 2-methyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate
CID 47089692

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid (CID 120531897) is 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is PMHFXCYKCPBYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-16-14(18(25)22-20(2,11-28-4)19(26)27)10-15(13-8-6-5-7-9-13)21-17(16)24(3)23-12/h5-10H,11H2,1-4H3,(H,22,25)(H,26,27).
What are the key properties of 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(1,3-dimethyl-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 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).