[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C25H29N5OS2 — CID 24625246

IUPAC[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(Cc4ccsc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H29N5OS2/c1-16(2)30-24-22(13-26-30)21(12-23(27-24)20-11-17(3)33-18(20)4)25(31)29-8-6-28(7-9-29)14-19-5-10-32-15-19/h5,10-13,15-16H,6-9,14H2,1-4H3
InChIKeyJZTQZHTZOIPTPZ-UHFFFAOYSA-N
MW479.68 g/mol
LogP5.38
Rot. Bonds5

About [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24625246) has the molecular formula C25H29N5OS2 and a molecular weight of 479.68 g/mol. Its IUPAC name is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID24625246
Molecular FormulaC25H29N5OS2
Molecular Weight479.68 g/mol
Exact Mass479.18
IUPAC Name[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(Cc4ccsc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H29N5OS2/c1-16(2)30-24-22(13-26-30)21(12-23(27-24)20-11-17(3)33-18(20)4)25(31)29-8-6-28(7-9-29)14-19-5-10-32-15-19/h5,10-13,15-16H,6-9,14H2,1-4H3
InChIKeyJZTQZHTZOIPTPZ-UHFFFAOYSA-N
XLogP5.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.68
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281
2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55508241
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55507775
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 24606529
ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 26022213
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 30951385
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 35349590
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16604991

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 24625246) is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cc1cc(-c2cc(C(=O)N3CCN(Cc4ccsc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JZTQZHTZOIPTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS2/c1-16(2)30-24-22(13-26-30)21(12-23(27-24)20-11-17(3)33-18(20)4)25(31)29-8-6-28(7-9-29)14-19-5-10-32-15-19/h5,10-13,15-16H,6-9,14H2,1-4H3.
What are the key properties of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 479.68 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24625246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).