1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H21N5OS — CID 36647436

IUPAC1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCc3cccc4cccnc34)c12
InChIInChI=1S/C24H21N5OS/c1-15-21-18(14-19(20-9-5-13-31-20)27-23(21)29(2)28-15)24(30)26-12-10-17-7-3-6-16-8-4-11-25-22(16)17/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,30)
InChIKeyPMPVAOCZDVOVLE-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.53
Rot. Bonds5

About 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 36647436) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID36647436
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCc3cccc4cccnc34)c12
InChIInChI=1S/C24H21N5OS/c1-15-21-18(14-19(20-9-5-13-31-20)27-23(21)29(2)28-15)24(30)26-12-10-17-7-3-6-16-8-4-11-25-22(16)17/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,30)
InChIKeyPMPVAOCZDVOVLE-UHFFFAOYSA-N
XLogP4.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 36647436) is 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCc3cccc4cccnc34)c12.
What is the InChIKey of 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PMPVAOCZDVOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-15-21-18(14-19(20-9-5-13-31-20)27-23(21)29(2)28-15)24(30)26-12-10-17-7-3-6-16-8-4-11-25-22(16)17/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,30).
What are the key properties of 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 36647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).