6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone

C14H13NOS — CID 115783796

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3cccnc32)s1
InChIInChI=1S/C14H13NOS/c1-9-4-7-12(17-9)14(16)11-6-5-10-3-2-8-15-13(10)11/h2-4,7-8,11H,5-6H2,1H3
InChIKeyMEYIFKLKEOWZCK-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.36
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone (PubChem CID 115783796) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
PubChem CID115783796
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3cccnc32)s1
InChIInChI=1S/C14H13NOS/c1-9-4-7-12(17-9)14(16)11-6-5-10-3-2-8-15-13(10)11/h2-4,7-8,11H,5-6H2,1H3
InChIKeyMEYIFKLKEOWZCK-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
CID 116601540
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone (CID 115783796) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)C2CCc3cccnc32)s1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone?
The InChIKey is MEYIFKLKEOWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-4-7-12(17-9)14(16)11-6-5-10-3-2-8-15-13(10)11/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 115783796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).