2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid

C18H20N4O4S — CID 120702259

IUPAC2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C18H20N4O4S/c1-10-15-11(17(23)20-12(18(24)25)6-7-26-3)9-13(14-5-4-8-27-14)19-16(15)22(2)21-10/h4-5,8-9,12H,6-7H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyFHRUCINKBODJJH-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.22
Rot. Bonds7

About 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid

2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 120702259) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID120702259
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)C(=O)O
InChIInChI=1S/C18H20N4O4S/c1-10-15-11(17(23)20-12(18(24)25)6-7-26-3)9-13(14-5-4-8-27-14)19-16(15)22(2)21-10/h4-5,8-9,12H,6-7H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyFHRUCINKBODJJH-UHFFFAOYSA-N
XLogP2.22
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid with MolForge

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Related Compounds

(E)-2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hex-4-enoic acid
CID 120692916
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
1,3-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540837
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854363
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
N-[1-(furan-2-yl)propan-2-yl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55614437
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55673579

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid (CID 120702259) is 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is FHRUCINKBODJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10-15-11(17(23)20-12(18(24)25)6-7-26-3)9-13(14-5-4-8-27-14)19-16(15)22(2)21-10/h4-5,8-9,12H,6-7H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 388.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).