2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine

C26H35F3N2 — CID 138700901

IUPAC2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine
SMILESCC(C)c1cc(C(C)CCC(C)c2cnc(C3CC3)c(C(C)C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C26H35F3N2/c1-15(2)22-11-21(14-30-25(22)19-9-10-19)18(6)8-7-17(5)20-12-23(16(3)4)31-24(13-20)26(27,28)29/h11-19H,7-10H2,1-6H3
InChIKeyODFVDOYQRPOUEK-UHFFFAOYSA-N
MW432.57 g/mol
LogP8.31
Rot. Bonds8

About 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine

2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine (PubChem CID 138700901) has the molecular formula C26H35F3N2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine
PubChem CID138700901
Molecular FormulaC26H35F3N2
Molecular Weight432.57 g/mol
Exact Mass432.28
IUPAC Name2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine
SMILESCC(C)c1cc(C(C)CCC(C)c2cnc(C3CC3)c(C(C)C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C26H35F3N2/c1-15(2)22-11-21(14-30-25(22)19-9-10-19)18(6)8-7-17(5)20-12-23(16(3)4)31-24(13-20)26(27,28)29/h11-19H,7-10H2,1-6H3
InChIKeyODFVDOYQRPOUEK-UHFFFAOYSA-N
XLogP8.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine?
The IUPAC name of 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine (CID 138700901) is 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine.
What is the SMILES notation for 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine?
The canonical SMILES for 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine is CC(C)c1cc(C(C)CCC(C)c2cnc(C3CC3)c(C(C)C)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine?
The InChIKey is ODFVDOYQRPOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N2/c1-15(2)22-11-21(14-30-25(22)19-9-10-19)18(6)8-7-17(5)20-12-23(16(3)4)31-24(13-20)26(27,28)29/h11-19H,7-10H2,1-6H3.
What are the key properties of 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine?
2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine has a molecular weight of 432.57 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-propan-2-yl-5-[5-[2-propan-2-yl-6-(trifluoromethyl)-4-pyridinyl]hexan-2-yl]pyridine is sourced from PubChem (CID 138700901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).