1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine

C43H77N3OS — CID 162269691

IUPAC1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine
SMILESC.C.C.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.c1c[nH]c2cccc-2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/C8H7N.C7H5NO.C7H5NS.3C4H10.3C2H6.3CH4/c1-3-7-4-2-6-9-8(7)5-1;2*1-2-6-3-5-9-7(6)8-4-1;3*1-4(2)3;3*1-2;;;/h1-6,9H;2*1-5H;3*4H,1-3H3;3*1-2H3;3*1H4
InChIKeyUYHMCXBXXDVWIV-UHFFFAOYSA-N
MW684.18 g/mol
LogP16.22
Rot. Bonds

About 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine

1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine (PubChem CID 162269691) has the molecular formula C43H77N3OS and a molecular weight of 684.18 g/mol. Its IUPAC name is 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine.

Molecular Properties

Compound Name1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine
PubChem CID162269691
Molecular FormulaC43H77N3OS
Molecular Weight684.18 g/mol
Exact Mass683.58
IUPAC Name1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine
SMILESC.C.C.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.c1c[nH]c2cccc-2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/C8H7N.C7H5NO.C7H5NS.3C4H10.3C2H6.3CH4/c1-3-7-4-2-6-9-8(7)5-1;2*1-2-6-3-5-9-7(6)8-4-1;3*1-4(2)3;3*1-2;;;/h1-6,9H;2*1-5H;3*4H,1-3H3;3*1-2H3;3*1H4
InChIKeyUYHMCXBXXDVWIV-UHFFFAOYSA-N
XLogP16.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.18
LogP ≤ 516.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine?
The IUPAC name of 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine (CID 162269691) is 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine.
What is the SMILES notation for 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine?
The canonical SMILES for 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine is C.C.C.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.c1c[nH]c2cccc-2c1.c1cnc2occc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine?
The InChIKey is UYHMCXBXXDVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H5NO.C7H5NS.3C4H10.3C2H6.3CH4/c1-3-7-4-2-6-9-8(7)5-1;2*1-2-6-3-5-9-7(6)8-4-1;3*1-4(2)3;3*1-2;;;/h1-6,9H;2*1-5H;3*4H,1-3H3;3*1-2H3;3*1H4.
What are the key properties of 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine?
1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine has a molecular weight of 684.18 g/mol, XLogP of 16.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[b]pyridine;ethane;furo[2,3-b]pyridine;methane;tris(2-methylpropane);thieno[2,3-b]pyridine is sourced from PubChem (CID 162269691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).