2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine

C26H29ClF3N3 — CID 154991490

IUPAC2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine
SMILESCc1cccnc1C(C)Cc1ccc(C(F)(F)F)c(C(C)Cc2ccc(Cl)c(C(C)C)n2)n1
InChIInChI=1S/C26H29ClF3N3/c1-15(2)23-22(27)11-9-20(32-23)14-18(5)25-21(26(28,29)30)10-8-19(33-25)13-17(4)24-16(3)7-6-12-31-24/h6-12,15,17-18H,13-14H2,1-5H3
InChIKeyXNIDKLVMBDYATA-UHFFFAOYSA-N
MW475.99 g/mol
LogP7.67
Rot. Bonds7

About 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine

2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine (PubChem CID 154991490) has the molecular formula C26H29ClF3N3 and a molecular weight of 475.99 g/mol. Its IUPAC name is 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine
PubChem CID154991490
Molecular FormulaC26H29ClF3N3
Molecular Weight475.99 g/mol
Exact Mass475.20
IUPAC Name2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine
SMILESCc1cccnc1C(C)Cc1ccc(C(F)(F)F)c(C(C)Cc2ccc(Cl)c(C(C)C)n2)n1
InChIInChI=1S/C26H29ClF3N3/c1-15(2)23-22(27)11-9-20(32-23)14-18(5)25-21(26(28,29)30)10-8-19(33-25)13-17(4)24-16(3)7-6-12-31-24/h6-12,15,17-18H,13-14H2,1-5H3
InChIKeyXNIDKLVMBDYATA-UHFFFAOYSA-N
XLogP7.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.99
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine (CID 154991490) is 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine is Cc1cccnc1C(C)Cc1ccc(C(F)(F)F)c(C(C)Cc2ccc(Cl)c(C(C)C)n2)n1.
What is the InChIKey of 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine?
The InChIKey is XNIDKLVMBDYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N3/c1-15(2)23-22(27)11-9-20(32-23)14-18(5)25-21(26(28,29)30)10-8-19(33-25)13-17(4)24-16(3)7-6-12-31-24/h6-12,15,17-18H,13-14H2,1-5H3.
What are the key properties of 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine?
2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine has a molecular weight of 475.99 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-6-propan-2-yl-2-pyridinyl)propan-2-yl]-6-[2-(3-methyl-2-pyridinyl)propyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 154991490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).