6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

C17H18N4OS — CID 16622852

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3sccc3C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H18N4OS/c1-10-8-13(15-11(2)19-20(3)16(15)18-10)17(22)21-6-4-14-12(9-21)5-7-23-14/h5,7-8H,4,6,9H2,1-3H3
InChIKeyDARXECMYSJSBCY-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.85
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 16622852) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID16622852
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3sccc3C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H18N4OS/c1-10-8-13(15-11(2)19-20(3)16(15)18-10)17(22)21-6-4-14-12(9-21)5-7-23-14/h5,7-8H,4,6,9H2,1-3H3
InChIKeyDARXECMYSJSBCY-UHFFFAOYSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 42937974
(5-chloro-1,3-dimethylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30455819
1-[10-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 175655966
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
[4-(3-methylphenyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609903
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879881
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16622658
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81256931
(3R,4R)-4-hydroxy-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 165423721
ethyl 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 30755393
[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331641

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 16622852) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCc3sccc3C2)c2c(C)nn(C)c2n1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is DARXECMYSJSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-8-13(15-11(2)19-20(3)16(15)18-10)17(22)21-6-4-14-12(9-21)5-7-23-14/h5,7-8H,4,6,9H2,1-3H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 326.43 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 16622852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).