(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

C17H18N4OS — CID 110237526

IUPAC(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3[nH]nc4ncccc34)C2)cs1
InChIInChI=1S/C17H18N4OS/c1-11-8-13(10-23-11)17(22)21-7-3-4-12(9-21)15-14-5-2-6-18-16(14)20-19-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20)
InChIKeyACFOSPWFVPTPGB-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.35
Rot. Bonds2

About (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 110237526) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID110237526
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3[nH]nc4ncccc34)C2)cs1
InChIInChI=1S/C17H18N4OS/c1-11-8-13(10-23-11)17(22)21-7-3-4-12(9-21)15-14-5-2-6-18-16(14)20-19-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20)
InChIKeyACFOSPWFVPTPGB-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 110237526) is (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3[nH]nc4ncccc34)C2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ACFOSPWFVPTPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-8-13(10-23-11)17(22)21-7-3-4-12(9-21)15-14-5-2-6-18-16(14)20-19-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20).
What are the key properties of (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
(5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 326.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110237526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).