2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C26H20N4OS — CID 2544072

IUPAC2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc43)c12
InChIInChI=1S/C26H20N4OS/c1-17-24-20(26(31)29-14-13-18-8-5-6-11-22(18)29)16-21(23-12-7-15-32-23)27-25(24)30(28-17)19-9-3-2-4-10-19/h2-12,15-16H,13-14H2,1H3
InChIKeyRCXBRAZBUGMUCR-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.66
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 2544072) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID2544072
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC Name2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc43)c12
InChIInChI=1S/C26H20N4OS/c1-17-24-20(26(31)29-14-13-18-8-5-6-11-22(18)29)16-21(23-12-7-15-32-23)27-25(24)30(28-17)19-9-3-2-4-10-19/h2-12,15-16H,13-14H2,1H3
InChIKeyRCXBRAZBUGMUCR-UHFFFAOYSA-N
XLogP5.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 2544072) is 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc43)c12.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is RCXBRAZBUGMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c1-17-24-20(26(31)29-14-13-18-8-5-6-11-22(18)29)16-21(23-12-7-15-32-23)27-25(24)30(28-17)19-9-3-2-4-10-19/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 436.54 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 2544072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).