1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone

C21H25N5O2S — CID 34840164

IUPAC1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C21H25N5O2S/c1-13(2)26-20-17(12-22-26)16(11-18(23-20)19-6-5-14(3)29-19)21(28)25-9-7-24(8-10-25)15(4)27/h5-6,11-13H,7-10H2,1-4H3
InChIKeyUSQLEYRPPKJRBZ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.35
Rot. Bonds3

About 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 34840164) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID34840164
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C21H25N5O2S/c1-13(2)26-20-17(12-22-26)16(11-18(23-20)19-6-5-14(3)29-19)21(28)25-9-7-24(8-10-25)15(4)27/h5-6,11-13H,7-10H2,1-4H3
InChIKeyUSQLEYRPPKJRBZ-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46689804
(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 46579658
[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46507989
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 120656628
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
CID 120656627
6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46689823
1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55494119
[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-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 31122199

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 34840164) is 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is USQLEYRPPKJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-13(2)26-20-17(12-22-26)16(11-18(23-20)19-6-5-14(3)29-19)21(28)25-9-7-24(8-10-25)15(4)27/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 411.53 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 34840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).