2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine

C21H12F6N2S2 — CID 21044740

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine
SMILESCc1c(C2=C(c3sc4ncccc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2ncccc12
InChIInChI=1S/C21H12F6N2S2/c1-9-11-5-3-7-28-17(11)30-15(9)13-14(20(24,25)21(26,27)19(13,22)23)16-10(2)12-6-4-8-29-18(12)31-16/h3-8H,1-2H3
InChIKeyLPORQWSMHJGIGQ-UHFFFAOYSA-N
MW470.46 g/mol
LogP7.35
Rot. Bonds2

About 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine

2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine (PubChem CID 21044740) has the molecular formula C21H12F6N2S2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine
PubChem CID21044740
Molecular FormulaC21H12F6N2S2
Molecular Weight470.46 g/mol
Exact Mass470.03
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine
SMILESCc1c(C2=C(c3sc4ncccc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2ncccc12
InChIInChI=1S/C21H12F6N2S2/c1-9-11-5-3-7-28-17(11)30-15(9)13-14(20(24,25)21(26,27)19(13,22)23)16-10(2)12-6-4-8-29-18(12)31-16/h3-8H,1-2H3
InChIKeyLPORQWSMHJGIGQ-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.46
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine with MolForge

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Related Compounds

Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
(-)-(R)-2-(3-(1-(2-fluoropyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695591
Cyp17-IN-1
CID 137635843
6-fluoro-2-[(4-propan-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137638281
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137648186
6-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137653906
6-fluoro-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137658689
6-fluoro-2-[(4-prop-1-en-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137659776
Thieno[2,3-c][2,6]naphthyridine
CID 818823
3-Fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
CID 118729564
6-fluoro-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137655257
7-(4-Methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
CID 71544373

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine (CID 21044740) is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine is Cc1c(C2=C(c3sc4ncccc4c3C)C(F)(F)C(F)(F)C2(F)F)sc2ncccc12.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine?
The InChIKey is LPORQWSMHJGIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N2S2/c1-9-11-5-3-7-28-17(11)30-15(9)13-14(20(24,25)21(26,27)19(13,22)23)16-10(2)12-6-4-8-29-18(12)31-16/h3-8H,1-2H3.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine?
2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine has a molecular weight of 470.46 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methylthieno[2,3-b]pyridin-2-yl)cyclopenten-1-yl]-3-methylthieno[2,3-b]pyridine is sourced from PubChem (CID 21044740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).