(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C22H23N5OS2 — CID 24642060

IUPAC(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C22H23N5OS2/c1-2-27-21-18(14-23-27)17(13-19(24-21)20-6-4-12-30-20)22(28)26-9-7-25(8-10-26)15-16-5-3-11-29-16/h3-6,11-14H,2,7-10,15H2,1H3
InChIKeyNFOLDYQEHIRIOA-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.20
Rot. Bonds5

About (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24642060) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID24642060
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C22H23N5OS2/c1-2-27-21-18(14-23-27)17(13-19(24-21)20-6-4-12-30-20)22(28)26-9-7-25(8-10-26)15-16-5-3-11-29-16/h3-6,11-14H,2,7-10,15H2,1H3
InChIKeyNFOLDYQEHIRIOA-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 24642060) is (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CCn1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21.
What is the InChIKey of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NFOLDYQEHIRIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-2-27-21-18(14-23-27)17(13-19(24-21)20-6-4-12-30-20)22(28)26-9-7-25(8-10-26)15-16-5-3-11-29-16/h3-6,11-14H,2,7-10,15H2,1H3.
What are the key properties of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 437.59 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24642060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).