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

C23H25N5OS2 — CID 35349590

IUPAC(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H25N5OS2/c1-16(2)28-22-19(14-24-28)18(13-20(25-22)21-6-4-12-31-21)23(29)27-9-7-26(8-10-27)15-17-5-3-11-30-17/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyZRLXGZKBOFUGLJ-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.76
Rot. Bonds5

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

(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35349590) has the molecular formula C23H25N5OS2 and a molecular weight of 451.62 g/mol. Its IUPAC name is (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID35349590
Molecular FormulaC23H25N5OS2
Molecular Weight451.62 g/mol
Exact Mass451.15
IUPAC Name(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H25N5OS2/c1-16(2)28-22-19(14-24-28)18(13-20(25-22)21-6-4-12-31-21)23(29)27-9-7-26(8-10-27)15-17-5-3-11-30-17/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyZRLXGZKBOFUGLJ-UHFFFAOYSA-N
XLogP4.76
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 24642060
tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 31122199
(4-aminopiperidin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119372936
(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55584127
(3S,4S)-4-methyl-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952362
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119631003
(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371797
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
1-propan-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24657561
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 35349590) is (1-propan-2-yl-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-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CC(C)n1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(-c3cccs3)nc21.
What is the InChIKey of (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZRLXGZKBOFUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS2/c1-16(2)28-22-19(14-24-28)18(13-20(25-22)21-6-4-12-31-21)23(29)27-9-7-26(8-10-27)15-17-5-3-11-30-17/h3-6,11-14,16H,7-10,15H2,1-2H3.
What are the key properties of (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 451.62 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35349590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).