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

C15H17NOS — CID 79739303

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCc3cccnc32)s1
InChIInChI=1S/C15H17NOS/c1-2-11-6-8-13(18-11)15(17)12-7-5-10-4-3-9-16-14(10)12/h3-4,6,8-9,12,15,17H,2,5,7H2,1H3
InChIKeyMZMPWCTVHJTWCC-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.47
Rot. Bonds3

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol (PubChem CID 79739303) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol
PubChem CID79739303
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCc3cccnc32)s1
InChIInChI=1S/C15H17NOS/c1-2-11-6-8-13(18-11)15(17)12-7-5-10-4-3-9-16-14(10)12/h3-4,6,8-9,12,15,17H,2,5,7H2,1H3
InChIKeyMZMPWCTVHJTWCC-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol (CID 79739303) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)C2CCc3cccnc32)s1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol?
The InChIKey is MZMPWCTVHJTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-11-6-8-13(18-11)15(17)12-7-5-10-4-3-9-16-14(10)12/h3-4,6,8-9,12,15,17H,2,5,7H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-ethylthiophen-2-yl)methanol has a molecular weight of 259.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 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-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 79739303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).