1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H27N5O2S — CID 37216173

IUPAC1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCc3ccccc3CN3CCOCC3)cc(-c3cccs3)nc21
InChIInChI=1S/C25H27N5O2S/c1-2-30-24-21(16-27-30)20(14-22(28-24)23-8-5-13-33-23)25(31)26-15-18-6-3-4-7-19(18)17-29-9-11-32-12-10-29/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,26,31)
InChIKeyMXWHOILHCSWUKS-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.94
Rot. Bonds7

About 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 37216173) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID37216173
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCc3ccccc3CN3CCOCC3)cc(-c3cccs3)nc21
InChIInChI=1S/C25H27N5O2S/c1-2-30-24-21(16-27-30)20(14-22(28-24)23-8-5-13-33-23)25(31)26-15-18-6-3-4-7-19(18)17-29-9-11-32-12-10-29/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,26,31)
InChIKeyMXWHOILHCSWUKS-UHFFFAOYSA-N
XLogP3.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 37216173) is 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NCc3ccccc3CN3CCOCC3)cc(-c3cccs3)nc21.
What is the InChIKey of 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MXWHOILHCSWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-2-30-24-21(16-27-30)20(14-22(28-24)23-8-5-13-33-23)25(31)26-15-18-6-3-4-7-19(18)17-29-9-11-32-12-10-29/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,26,31).
What are the key properties of 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 37216173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).