1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C16H18N2O2S — CID 17465401

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3C2)c1C
InChIInChI=1S/C16H18N2O2S/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-6-4-13-12(8-18)5-7-21-13/h5,7,17H,4,6,8H2,1-3H3
InChIKeyNWIWQSFWMYNDSL-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds2

About 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 17465401) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID17465401
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3C2)c1C
InChIInChI=1S/C16H18N2O2S/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-6-4-13-12(8-18)5-7-21-13/h5,7,17H,4,6,8H2,1-3H3
InChIKeyNWIWQSFWMYNDSL-UHFFFAOYSA-N
XLogP3.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43159417
propan-2-yl 5-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 35274131
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
1-[2,4-dimethyl-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 47067621
1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17396869
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 107261574
(5-chloro-1,3-dimethylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30455819
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 81396467

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 17465401) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3C2)c1C.
What is the InChIKey of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is NWIWQSFWMYNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-6-4-13-12(8-18)5-7-21-13/h5,7,17H,4,6,8H2,1-3H3.
What are the key properties of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 17465401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).