N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine

C27H30F3N5 — CID 67088672

IUPACN-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C27H30F3N5/c28-27(29,30)21-8-6-19(7-9-21)23-10-11-25(35-16-14-31-15-17-35)34-26(23)20-12-13-32-24(18-20)33-22-4-2-1-3-5-22/h6-13,18,22,31H,1-5,14-17H2,(H,32,33)
InChIKeyFWAWGVBQQVMOHO-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.98
Rot. Bonds5

About N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine

N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 67088672) has the molecular formula C27H30F3N5 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
PubChem CID67088672
Molecular FormulaC27H30F3N5
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC NameN-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C27H30F3N5/c28-27(29,30)21-8-6-19(7-9-21)23-10-11-25(35-16-14-31-15-17-35)34-26(23)20-12-13-32-24(18-20)33-22-4-2-1-3-5-22/h6-13,18,22,31H,1-5,14-17H2,(H,32,33)
InChIKeyFWAWGVBQQVMOHO-UHFFFAOYSA-N
XLogP5.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 58229715
4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
CID 67088806
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 137018868
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
N-cyclopentyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
CID 67026736
6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
CID 122446737
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
N-cycloheptyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206420

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine (CID 67088672) is N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is FWAWGVBQQVMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5/c28-27(29,30)21-8-6-19(7-9-21)23-10-11-25(35-16-14-31-15-17-35)34-26(23)20-12-13-32-24(18-20)33-22-4-2-1-3-5-22/h6-13,18,22,31H,1-5,14-17H2,(H,32,33).
What are the key properties of N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine?
N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 481.57 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 67088672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).