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

C25H33N5O2S — CID 55507775

IUPAC[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(CC4CCCO4)CC3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H33N5O2S/c1-16(2)30-24-22(14-26-30)21(13-23(27-24)20-12-17(3)33-18(20)4)25(31)29-9-7-28(8-10-29)15-19-6-5-11-32-19/h12-14,16,19H,5-11,15H2,1-4H3
InChIKeyIPSRKBONKKTEJT-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.29
Rot. Bonds5

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

[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55507775) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID55507775
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC Name[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(CC4CCCO4)CC3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C25H33N5O2S/c1-16(2)30-24-22(14-26-30)21(13-23(27-24)20-12-17(3)33-18(20)4)25(31)29-9-7-28(8-10-29)15-19-6-5-11-32-19/h12-14,16,19H,5-11,15H2,1-4H3
InChIKeyIPSRKBONKKTEJT-UHFFFAOYSA-N
XLogP4.29
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.29
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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55555395
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
ethyl 1-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 26022213
[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
[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
[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
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
6-(2,5-dimethylthiophen-3-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16613695
[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
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159

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-(oxolan-2-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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 55507775) is [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-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-(oxolan-2-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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is Cc1cc(-c2cc(C(=O)N3CCN(CC4CCCO4)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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IPSRKBONKKTEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-16(2)30-24-22(14-26-30)21(13-23(27-24)20-12-17(3)33-18(20)4)25(31)29-9-7-28(8-10-29)15-19-6-5-11-32-19/h12-14,16,19H,5-11,15H2,1-4H3.
What are the key properties of [6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 467.64 g/mol, XLogP of 4.29, 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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55507775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).