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

C17H18N4O3S — CID 119350254

IUPAC2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)O)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C17H18N4O3S/c1-9(2)21-16-12(7-19-21)11(17(24)18-8-15(22)23)6-13(20-16)14-5-4-10(3)25-14/h4-7,9H,8H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyHGHGELXQBAIWFG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.86
Rot. Bonds5

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

2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid (PubChem CID 119350254) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
PubChem CID119350254
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)O)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C17H18N4O3S/c1-9(2)21-16-12(7-19-21)11(17(24)18-8-15(22)23)6-13(20-16)14-5-4-10(3)25-14/h4-7,9H,8H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyHGHGELXQBAIWFG-UHFFFAOYSA-N
XLogP2.86
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
3-[methyl-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119362666
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37392918
N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55805963
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55890972
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46688902
N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46690184
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46524468
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47082631

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid (CID 119350254) is 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid is Cc1ccc(-c2cc(C(=O)NCC(=O)O)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The InChIKey is HGHGELXQBAIWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-9(2)21-16-12(7-19-21)11(17(24)18-8-15(22)23)6-13(20-16)14-5-4-10(3)25-14/h4-7,9H,8H2,1-3H3,(H,18,24)(H,22,23).
What are the key properties of 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid has a molecular weight of 358.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119350254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).