2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid

C19H20N4O3 — CID 119347215

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
SMILESCc1nn(C)c2ncc(C(=O)N(CCc3ccccc3)CC(=O)O)cc12
InChIInChI=1S/C19H20N4O3/c1-13-16-10-15(11-20-18(16)22(2)21-13)19(26)23(12-17(24)25)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyWCYWCTOAGOTMJW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.05
Rot. Bonds6

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid

2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid (PubChem CID 119347215) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
PubChem CID119347215
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
SMILESCc1nn(C)c2ncc(C(=O)N(CCc3ccccc3)CC(=O)O)cc12
InChIInChI=1S/C19H20N4O3/c1-13-16-10-15(11-20-18(16)22(2)21-13)19(26)23(12-17(24)25)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyWCYWCTOAGOTMJW-UHFFFAOYSA-N
XLogP2.05
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid with MolForge

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Related Compounds

N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
CID 61409505
N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
CID 87016623
1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78847401
2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538073
N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 115775742
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342972
N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 46566637
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 120895644
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid (CID 119347215) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid is Cc1nn(C)c2ncc(C(=O)N(CCc3ccccc3)CC(=O)O)cc12.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid?
The InChIKey is WCYWCTOAGOTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-16-10-15(11-20-18(16)22(2)21-13)19(26)23(12-17(24)25)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).