N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

C43H28Br2ClF4N9 — CID 161366071

IUPACN-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCn1c(C(F)(F)F)c(-c2nccc(Nc3ccc(Br)cc3)n2)c2cc(Cl)ccc21.Fc1ccc2nc(-c3ccccc3)c(-c3nccc(Nc4ccc(Br)cc4)n3)n2c1
InChIInChI=1S/C23H15BrFN5.C20H13BrClF3N4/c24-16-6-9-18(10-7-16)27-19-12-13-26-23(28-19)22-21(15-4-2-1-3-5-15)29-20-11-8-17(25)14-30(20)22;1-29-15-7-4-12(22)10-14(15)17(18(29)20(23,24)25)19-26-9-8-16(28-19)27-13-5-2-11(21)3-6-13/h1-14H,(H,26,27,28);2-10H,1H3,(H,26,27,28)
InChIKeyVPVCMNOYJXQNBC-UHFFFAOYSA-N
MW942.01 g/mol
LogP12.92
Rot. Bonds7

About N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (PubChem CID 161366071) has the molecular formula C43H28Br2ClF4N9 and a molecular weight of 942.01 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
PubChem CID161366071
Molecular FormulaC43H28Br2ClF4N9
Molecular Weight942.01 g/mol
Exact Mass939.05
IUPAC NameN-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCn1c(C(F)(F)F)c(-c2nccc(Nc3ccc(Br)cc3)n2)c2cc(Cl)ccc21.Fc1ccc2nc(-c3ccccc3)c(-c3nccc(Nc4ccc(Br)cc4)n3)n2c1
InChIInChI=1S/C23H15BrFN5.C20H13BrClF3N4/c24-16-6-9-18(10-7-16)27-19-12-13-26-23(28-19)22-21(15-4-2-1-3-5-15)29-20-11-8-17(25)14-30(20)22;1-29-15-7-4-12(22)10-14(15)17(18(29)20(23,24)25)19-26-9-8-16(28-19)27-13-5-2-11(21)3-6-13/h1-14H,(H,26,27,28);2-10H,1H3,(H,26,27,28)
InChIKeyVPVCMNOYJXQNBC-UHFFFAOYSA-N
XLogP12.92
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.01
LogP ≤ 512.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine
CID 90178094
5-Bromo-11-chloro-8-[(4,4-difluorocyclohexyl)-phenylmethyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122686501
4-N-[4-[5-[[2-amino-4-(butylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-chloro-2-fluorophenyl]butyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 126596172
6-Chloro-2-[[4-[5-chloro-6-(trifluoromethyl)pyridin-2-yl]piperazin-2-yl]methyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 146387845
6-Chloro-2-[[1-[5-chloro-6-(trifluoromethyl)pyridin-2-yl]piperazin-2-yl]methyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 146387893
7-Bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
CID 146662062
6-Chloro-2-[[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]methyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;chloride;hydrochloride
CID 156402032
6-Chloro-2-[[4-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]methyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;chloride;hydrochloride
CID 156402132
6-[5-(6-bromopyridin-2-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-4-yl]quinoline;2-methyl-6-[5-(6-methylpyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 157304392
N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 157771662
6-Chloro-2-[[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]methyl]-1-[(3-methylimidazol-3-ium-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;dihydrochloride
CID 157957464
2-Bromo-6-(trifluoromethyl)pyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 158247424

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (CID 161366071) is N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is Cn1c(C(F)(F)F)c(-c2nccc(Nc3ccc(Br)cc3)n2)c2cc(Cl)ccc21.Fc1ccc2nc(-c3ccccc3)c(-c3nccc(Nc4ccc(Br)cc4)n3)n2c1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The InChIKey is VPVCMNOYJXQNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrFN5.C20H13BrClF3N4/c24-16-6-9-18(10-7-16)27-19-12-13-26-23(28-19)22-21(15-4-2-1-3-5-15)29-20-11-8-17(25)14-30(20)22;1-29-15-7-4-12(22)10-14(15)17(18(29)20(23,24)25)19-26-9-8-16(28-19)27-13-5-2-11(21)3-6-13/h1-14H,(H,26,27,28);2-10H,1H3,(H,26,27,28).
What are the key properties of N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine has a molecular weight of 942.01 g/mol, XLogP of 12.92, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]pyrimidin-4-amine;N-(4-bromophenyl)-2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 161366071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).