1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C18H20N4OS — CID 110118654

IUPAC1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1ncc2ccc(C3CCCN(C(=O)Cc4cccs4)C3)nc21
InChIInChI=1S/C18H20N4OS/c1-21-18-13(11-19-21)6-7-16(20-18)14-4-2-8-22(12-14)17(23)10-15-5-3-9-24-15/h3,5-7,9,11,14H,2,4,8,10,12H2,1H3
InChIKeyULEFMLKJTYPZTI-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.98
Rot. Bonds3

About 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110118654) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110118654
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1ncc2ccc(C3CCCN(C(=O)Cc4cccs4)C3)nc21
InChIInChI=1S/C18H20N4OS/c1-21-18-13(11-19-21)6-7-16(20-18)14-4-2-8-22(12-14)17(23)10-15-5-3-9-24-15/h3,5-7,9,11,14H,2,4,8,10,12H2,1H3
InChIKeyULEFMLKJTYPZTI-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110118654) is 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is Cn1ncc2ccc(C3CCCN(C(=O)Cc4cccs4)C3)nc21.
What is the InChIKey of 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is ULEFMLKJTYPZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21-18-13(11-19-21)6-7-16(20-18)14-4-2-8-22(12-14)17(23)10-15-5-3-9-24-15/h3,5-7,9,11,14H,2,4,8,10,12H2,1H3.
What are the key properties of 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 340.45 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110118654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).