6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine

C26H26ClF7N4 — CID 146614851

IUPAC6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nccc(CC(C)c2nc(N)cc(CC(C)c3ncc(F)cc3C(F)(F)F)c2C(F)(F)F)c1Cl
InChIInChI=1S/C26H26ClF7N4/c1-12(2)22-21(27)15(5-6-36-22)7-14(4)24-20(26(32,33)34)16(9-19(35)38-24)8-13(3)23-18(25(29,30)31)10-17(28)11-37-23/h5-6,9-14H,7-8H2,1-4H3,(H2,35,38)
InChIKeyUOKXHAIEFURSBH-UHFFFAOYSA-N
MW562.96 g/mol
LogP8.10
Rot. Bonds7

About 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine

6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 146614851) has the molecular formula C26H26ClF7N4 and a molecular weight of 562.96 g/mol. Its IUPAC name is 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID146614851
Molecular FormulaC26H26ClF7N4
Molecular Weight562.96 g/mol
Exact Mass562.17
IUPAC Name6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nccc(CC(C)c2nc(N)cc(CC(C)c3ncc(F)cc3C(F)(F)F)c2C(F)(F)F)c1Cl
InChIInChI=1S/C26H26ClF7N4/c1-12(2)22-21(27)15(5-6-36-22)7-14(4)24-20(26(32,33)34)16(9-19(35)38-24)8-13(3)23-18(25(29,30)31)10-17(28)11-37-23/h5-6,9-14H,7-8H2,1-4H3,(H2,35,38)
InChIKeyUOKXHAIEFURSBH-UHFFFAOYSA-N
XLogP8.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.96
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
3-chloro-2-propan-2-ylpyridin-4-amine
CID 54425054
6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2,5-diamine
CID 134672254
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 175158320
5-fluoro-2,3-bis(trifluoromethyl)pyridine
CID 133094693
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130095522
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine (CID 146614851) is 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine is CC(C)c1nccc(CC(C)c2nc(N)cc(CC(C)c3ncc(F)cc3C(F)(F)F)c2C(F)(F)F)c1Cl.
What is the InChIKey of 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UOKXHAIEFURSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF7N4/c1-12(2)22-21(27)15(5-6-36-22)7-14(4)24-20(26(32,33)34)16(9-19(35)38-24)8-13(3)23-18(25(29,30)31)10-17(28)11-37-23/h5-6,9-14H,7-8H2,1-4H3,(H2,35,38).
What are the key properties of 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine?
6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 562.96 g/mol, XLogP of 8.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-2-propan-2-yl-4-pyridinyl)propan-2-yl]-4-[2-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]propyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146614851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).