2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C140H125F25N20O2 — CID 162213884

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/2C28H25F5N4O.3C28H25F5N4/c2*1-14-15-2-4-17(5-3-15)25(14)36-24-12-23(16-6-8-19(9-7-16)38-28(31,32)33)35-27(37-24)21-13-34-26-20(21)10-18(29)11-22(26)30;3*1-14-15-6-8-16(9-7-15)25(14)36-24-12-23(18-4-2-3-5-21(18)28(31,32)33)35-27(37-24)20-13-34-26-19(20)10-17(29)11-22(26)30/h2*6-15,17,25,34H,2-5H2,1H3,(H,35,36,37);3*2-5,10-16,25,34H,6-9H2,1H3,(H,35,36,37)/t2*14-,15?,17?,25+;2*14-,15?,16?,25+;/m1010./s1
InChIKeyZTFGRUDNRBGFQD-YYJXTMPLSA-N
MW2594.63 g/mol
LogP38.89
Rot. Bonds22

About 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 162213884) has the molecular formula C140H125F25N20O2 and a molecular weight of 2594.63 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID162213884
Molecular FormulaC140H125F25N20O2
Molecular Weight2594.63 g/mol
Exact Mass2592.99
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/2C28H25F5N4O.3C28H25F5N4/c2*1-14-15-2-4-17(5-3-15)25(14)36-24-12-23(16-6-8-19(9-7-16)38-28(31,32)33)35-27(37-24)21-13-34-26-20(21)10-18(29)11-22(26)30;3*1-14-15-6-8-16(9-7-15)25(14)36-24-12-23(18-4-2-3-5-21(18)28(31,32)33)35-27(37-24)20-13-34-26-19(20)10-17(29)11-22(26)30/h2*6-15,17,25,34H,2-5H2,1H3,(H,35,36,37);3*2-5,10-16,25,34H,6-9H2,1H3,(H,35,36,37)/t2*14-,15?,17?,25+;2*14-,15?,16?,25+;/m1010./s1
InChIKeyZTFGRUDNRBGFQD-YYJXTMPLSA-N
XLogP38.89
TPSA286.46 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002594.63
LogP ≤ 538.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-bicyclo[2.2.2]octanyl]-2-(5,7-difluoro-1H-indol-3-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 134272856
2-(5,7-difluoro-1H-indol-3-yl)-6-(2-methoxyphenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine
CID 142287813
N-(2-bicyclo[2.2.2]octanyl)-2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine
CID 142287834
N-(2-bicyclo[2.2.2]octanyl)-2-(5,7-difluoro-1H-indol-3-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 142287867
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine
CID 142287875
N-(2-bicyclo[2.2.2]octanyl)-2-(5,7-difluoro-1H-indol-3-yl)-6-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 142287938
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
CID 157317367
[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 157487724
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 162213884) is 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccccc2C(F)(F)F)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZTFGRUDNRBGFQD-YYJXTMPLSA-N. The full InChI is InChI=1S/2C28H25F5N4O.3C28H25F5N4/c2*1-14-15-2-4-17(5-3-15)25(14)36-24-12-23(16-6-8-19(9-7-16)38-28(31,32)33)35-27(37-24)21-13-34-26-20(21)10-18(29)11-22(26)30;3*1-14-15-6-8-16(9-7-15)25(14)36-24-12-23(18-4-2-3-5-21(18)28(31,32)33)35-27(37-24)20-13-34-26-19(20)10-17(29)11-22(26)30/h2*6-15,17,25,34H,2-5H2,1H3,(H,35,36,37);3*2-5,10-16,25,34H,6-9H2,1H3,(H,35,36,37)/t2*14-,15?,17?,25+;2*14-,15?,16?,25+;/m1010./s1.
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 2594.63 g/mol, XLogP of 38.89, 22 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 162213884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).