tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine

C145H215N19O8 — CID 158385637

IUPACtris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccc(C2CCC(O)C2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CC[C@@H](O)C2)cn1.CC(C)c1ccc(C2CC[C@H](O)C2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1
InChIInChI=1S/3C16H25N3.3C13H19NO.3C12H17NO.2C11H16N2O/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;3*1-9(2)13-6-4-11(8-14-13)10-3-5-12(15)7-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13/h3*5-7,13-14H,3-4,8-12H2,1-2H3;3*4,6,8-10,12,15H,3,5,7H2,1-2H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3/t2*14-;;2*10?,12-;;;;;;/m10.10....../s1
InChIKeyGWIJAOKWXLUUOR-GWTXGODCSA-N
MW2352.44 g/mol
LogP28.04
Rot. Bonds25

About tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine

tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine (PubChem CID 158385637) has the molecular formula C145H215N19O8 and a molecular weight of 2352.44 g/mol. Its IUPAC name is tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Nametris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
PubChem CID158385637
Molecular FormulaC145H215N19O8
Molecular Weight2352.44 g/mol
Exact Mass2350.70
IUPAC Nametris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccc(C2CCC(O)C2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CC[C@@H](O)C2)cn1.CC(C)c1ccc(C2CC[C@H](O)C2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1
InChIInChI=1S/3C16H25N3.3C13H19NO.3C12H17NO.2C11H16N2O/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;3*1-9(2)13-6-4-11(8-14-13)10-3-5-12(15)7-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13/h3*5-7,13-14H,3-4,8-12H2,1-2H3;3*4,6,8-10,12,15H,3,5,7H2,1-2H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3/t2*14-;;2*10?,12-;;;;;;/m10.10....../s1
InChIKeyGWIJAOKWXLUUOR-GWTXGODCSA-N
XLogP28.04
TPSA296.55 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.44
LogP ≤ 528.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The IUPAC name of tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine (CID 158385637) is tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine.
What is the SMILES notation for tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The canonical SMILES for tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine is CC(C)c1ccc(C2CCC(O)C2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CC[C@@H](O)C2)cn1.CC(C)c1ccc(C2CC[C@H](O)C2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1cccc(N2CC(O)C2)n1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1.
What is the InChIKey of tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
The InChIKey is GWIJAOKWXLUUOR-GWTXGODCSA-N. The full InChI is InChI=1S/3C16H25N3.3C13H19NO.3C12H17NO.2C11H16N2O/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;3*1-9(2)13-6-4-11(8-14-13)10-3-5-12(15)7-10;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13;1-8(2)10-4-3-5-11(12-10)13-6-9(14)7-13/h3*5-7,13-14H,3-4,8-12H2,1-2H3;3*4,6,8-10,12,15H,3,5,7H2,1-2H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3;3-5,8-9,14H,6-7H2,1-2H3/t2*14-;;2*10?,12-;;;;;;/m10.10....../s1.
What are the key properties of tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine?
tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine has a molecular weight of 2352.44 g/mol, XLogP of 28.04, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine is sourced from PubChem (CID 158385637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).