6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

C22H29N3S — CID 129179113

IUPAC6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCN1CCc2c(C(C)Cc3ccn4nccc4c3C(C)C)csc2C1
InChIInChI=1S/C22H29N3S/c1-5-24-10-8-18-19(14-26-21(18)13-24)16(4)12-17-7-11-25-20(6-9-23-25)22(17)15(2)3/h6-7,9,11,14-16H,5,8,10,12-13H2,1-4H3
InChIKeyXOONEIOCNYQNOB-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.24
Rot. Bonds5

About 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 129179113) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID129179113
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCN1CCc2c(C(C)Cc3ccn4nccc4c3C(C)C)csc2C1
InChIInChI=1S/C22H29N3S/c1-5-24-10-8-18-19(14-26-21(18)13-24)16(4)12-17-7-11-25-20(6-9-23-25)22(17)15(2)3/h6-7,9,11,14-16H,5,8,10,12-13H2,1-4H3
InChIKeyXOONEIOCNYQNOB-UHFFFAOYSA-N
XLogP5.24
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 129179113) is 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is CCN1CCc2c(C(C)Cc3ccn4nccc4c3C(C)C)csc2C1.
What is the InChIKey of 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is XOONEIOCNYQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-5-24-10-8-18-19(14-26-21(18)13-24)16(4)12-17-7-11-25-20(6-9-23-25)22(17)15(2)3/h6-7,9,11,14-16H,5,8,10,12-13H2,1-4H3.
What are the key properties of 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 367.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[1-(4-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)propan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 129179113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).