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

C13H15N3OS — CID 52694212

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3sccc3C2)n(C)n1
InChIInChI=1S/C13H15N3OS/c1-9-7-11(15(2)14-9)13(17)16-5-3-12-10(8-16)4-6-18-12/h4,6-7H,3,5,8H2,1-2H3
InChIKeyKXCYTBGWHWYKIZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.99
Rot. Bonds1

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

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 52694212) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID52694212
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3sccc3C2)n(C)n1
InChIInChI=1S/C13H15N3OS/c1-9-7-11(15(2)14-9)13(17)16-5-3-12-10(8-16)4-6-18-12/h4,6-7H,3,5,8H2,1-2H3
InChIKeyKXCYTBGWHWYKIZ-UHFFFAOYSA-N
XLogP1.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone with MolForge

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Related Compounds

1-Cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10710468
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
1-Cyclopentyl-3-ethyl-6-thiophen-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10734134
5-(2,5-Dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 118715046
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
1-methyl-3-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-4,5-dihydro-1H-thieno[2,3-g]indazole
CID 20948571
5-methyl-2-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5214853
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]acetamide
CID 20919610
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]acetamide
CID 20919634
N-Cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-(thiophen-2-YL)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272535

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone (CID 52694212) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3sccc3C2)n(C)n1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is KXCYTBGWHWYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-7-11(15(2)14-9)13(17)16-5-3-12-10(8-16)4-6-18-12/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 261.35 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 52694212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).