3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid

C19H22N4O3S — CID 119362666

IUPAC3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2cc(C(=O)N(C)CCC(=O)O)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C19H22N4O3S/c1-11(2)23-18-14(10-20-23)13(19(26)22(4)8-7-17(24)25)9-15(21-18)16-6-5-12(3)27-16/h5-6,9-11H,7-8H2,1-4H3,(H,24,25)
InChIKeyXXJSOHCLVUGCEN-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.60
Rot. Bonds6

About 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid

3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 119362666) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
PubChem CID119362666
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1ccc(-c2cc(C(=O)N(C)CCC(=O)O)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C19H22N4O3S/c1-11(2)23-18-14(10-20-23)13(19(26)22(4)8-7-17(24)25)9-15(21-18)16-6-5-12(3)27-16/h5-6,9-11H,7-8H2,1-4H3,(H,24,25)
InChIKeyXXJSOHCLVUGCEN-UHFFFAOYSA-N
XLogP3.60
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46577426
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46577418
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55664582
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35363125
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55886856
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (CID 119362666) is 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid is Cc1ccc(-c2cc(C(=O)N(C)CCC(=O)O)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is XXJSOHCLVUGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)23-18-14(10-20-23)13(19(26)22(4)8-7-17(24)25)9-15(21-18)16-6-5-12(3)27-16/h5-6,9-11H,7-8H2,1-4H3,(H,24,25).
What are the key properties of 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid has a molecular weight of 386.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119362666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).