N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N6OS — CID 52550656

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H26N6OS/c1-14(2)31-24-19(13-27-31)18(12-22(30-24)17-11-15(3)33-16(17)4)25(32)26-10-9-23-28-20-7-5-6-8-21(20)29-23/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,28,29)
InChIKeyXTUGEBSCAPXYBS-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.21
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52550656) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52550656
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H26N6OS/c1-14(2)31-24-19(13-27-31)18(12-22(30-24)17-11-15(3)33-16(17)4)25(32)26-10-9-23-28-20-7-5-6-8-21(20)29-23/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,28,29)
InChIKeyXTUGEBSCAPXYBS-UHFFFAOYSA-N
XLogP5.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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CID 55508159
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6-(2,5-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26002280
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835399

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52550656) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCCc3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XTUGEBSCAPXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-14(2)31-24-19(13-27-31)18(12-22(30-24)17-11-15(3)33-16(17)4)25(32)26-10-9-23-28-20-7-5-6-8-21(20)29-23/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,28,29).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52550656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).