2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide

C25H34N6O2S — CID 55508241

IUPAC2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C25H34N6O2S/c1-6-7-26-23(32)15-29-8-10-30(11-9-29)25(33)20-13-22(19-12-17(4)34-18(19)5)28-24-21(20)14-27-31(24)16(2)3/h12-14,16H,6-11,15H2,1-5H3,(H,26,32)
InChIKeyPULIROOSRAMRPR-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.64
Rot. Bonds7

About 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55508241) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55508241
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C25H34N6O2S/c1-6-7-26-23(32)15-29-8-10-30(11-9-29)25(33)20-13-22(19-12-17(4)34-18(19)5)28-24-21(20)14-27-31(24)16(2)3/h12-14,16H,6-11,15H2,1-5H3,(H,26,32)
InChIKeyPULIROOSRAMRPR-UHFFFAOYSA-N
XLogP3.64
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 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) is 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is PULIROOSRAMRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-6-7-26-23(32)15-29-8-10-30(11-9-29)25(33)20-13-22(19-12-17(4)34-18(19)5)28-24-21(20)14-27-31(24)16(2)3/h12-14,16H,6-11,15H2,1-5H3,(H,26,32).
What are the key properties of 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 482.65 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55508241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).