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

C22H20N4OS — CID 27670267

IUPAC(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12
InChIInChI=1S/C22H20N4OS/c1-15-20-17(22(27)25-11-5-6-12-25)14-18(19-10-7-13-28-19)23-21(20)26(24-15)16-8-3-2-4-9-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
InChIKeyDBWSXPHCHXFETO-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.69
Rot. Bonds3

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

(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 27670267) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID27670267
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12
InChIInChI=1S/C22H20N4OS/c1-15-20-17(22(27)25-11-5-6-12-25)14-18(19-10-7-13-28-19)23-21(20)26(24-15)16-8-3-2-4-9-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
InChIKeyDBWSXPHCHXFETO-UHFFFAOYSA-N
XLogP4.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone (CID 27670267) is (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone is Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12.
What is the InChIKey of (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DBWSXPHCHXFETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-20-17(22(27)25-11-5-6-12-25)14-18(19-10-7-13-28-19)23-21(20)26(24-15)16-8-3-2-4-9-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3.
What are the key properties of (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 388.50 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 27670267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).