N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O2S — CID 46690184

IUPACN-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C24H25N5O2S/c1-5-25-23(30)16-7-6-8-17(11-16)27-24(31)18-12-20(21-10-9-15(4)32-21)28-22-19(18)13-26-29(22)14(2)3/h6-14H,5H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyFPXJTOXWOHSLIS-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.05
Rot. Bonds6

About N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46690184) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46690184
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C24H25N5O2S/c1-5-25-23(30)16-7-6-8-17(11-16)27-24(31)18-12-20(21-10-9-15(4)32-21)28-22-19(18)13-26-29(22)14(2)3/h6-14H,5H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyFPXJTOXWOHSLIS-UHFFFAOYSA-N
XLogP5.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610678
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855
N-(3-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495888
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
1-propan-2-yl-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60617355
2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37392918
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46688902
1-propan-2-yl-N-[3-(pyridin-2-ylcarbamoyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60617152

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46690184) is N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FPXJTOXWOHSLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-5-25-23(30)16-7-6-8-17(11-16)27-24(31)18-12-20(21-10-9-15(4)32-21)28-22-19(18)13-26-29(22)14(2)3/h6-14H,5H2,1-4H3,(H,25,30)(H,27,31).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46690184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).