5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine

C24H24ClF3N4O — CID 123861243

IUPAC5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(CNc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)cc1
InChIInChI=1S/C24H24ClF3N4O/c25-20-15-30-23(31-17-5-2-1-3-6-17)13-19(20)21-7-4-8-22(32-21)29-14-16-9-11-18(12-10-16)33-24(26,27)28/h4,7-13,15,17H,1-3,5-6,14H2,(H,29,32)(H,30,31)
InChIKeyKOLXHSXDHNMNAV-UHFFFAOYSA-N
MW476.93 g/mol
LogP7.05
Rot. Bonds7

About 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine

5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine (PubChem CID 123861243) has the molecular formula C24H24ClF3N4O and a molecular weight of 476.93 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine
PubChem CID123861243
Molecular FormulaC24H24ClF3N4O
Molecular Weight476.93 g/mol
Exact Mass476.16
IUPAC Name5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(CNc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)cc1
InChIInChI=1S/C24H24ClF3N4O/c25-20-15-30-23(31-17-5-2-1-3-6-17)13-19(20)21-7-4-8-22(32-21)29-14-16-9-11-18(12-10-16)33-24(26,27)28/h4,7-13,15,17H,1-3,5-6,14H2,(H,29,32)(H,30,31)
InChIKeyKOLXHSXDHNMNAV-UHFFFAOYSA-N
XLogP7.05
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.93
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

2-(4-Chloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536627
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11576068
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
CID 53325827
5-chloro-4-N-[(4-methoxyphenyl)methyl]-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665855
N-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-6-(3-fluorobenzyloxy)-2,4'-bipyridin-2'-amine
CID 66937029
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine (CID 123861243) is 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine is FC(F)(F)Oc1ccc(CNc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)cc1.
What is the InChIKey of 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine?
The InChIKey is KOLXHSXDHNMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O/c25-20-15-30-23(31-17-5-2-1-3-6-17)13-19(20)21-7-4-8-22(32-21)29-14-16-9-11-18(12-10-16)33-24(26,27)28/h4,7-13,15,17H,1-3,5-6,14H2,(H,29,32)(H,30,31).
What are the key properties of 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine?
5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine has a molecular weight of 476.93 g/mol, XLogP of 7.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 123861243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).