N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine

C110H93ClF8N20O2 — CID 161036256

IUPACN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H21FN4O.C22H21FN4.C21H16F4N4.C21H19FN4O.C20H16ClFN4/c1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21/h2-15,29H,16H2,1H3,(H,28,30,31);4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);3-11,24H,12H2,1-2H3,(H,23,25,26);2-10,24H,11H2,1H3,(H,23,25,26)
InChIKeyUAHDGGJZCZGMBU-UHFFFAOYSA-N
MW1914.53 g/mol
LogP27.79
Rot. Bonds23

About N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine

N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 161036256) has the molecular formula C110H93ClF8N20O2 and a molecular weight of 1914.53 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
PubChem CID161036256
Molecular FormulaC110H93ClF8N20O2
Molecular Weight1914.53 g/mol
Exact Mass1912.74
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H21FN4O.C22H21FN4.C21H16F4N4.C21H19FN4O.C20H16ClFN4/c1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21/h2-15,29H,16H2,1H3,(H,28,30,31);4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);3-11,24H,12H2,1-2H3,(H,23,25,26);2-10,24H,11H2,1H3,(H,23,25,26)
InChIKeyUAHDGGJZCZGMBU-UHFFFAOYSA-N
XLogP27.79
TPSA286.46 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.53
LogP ≤ 527.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine (CID 161036256) is N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine is COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.Cc1cc(C)cc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4C(F)(F)F)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The InChIKey is UAHDGGJZCZGMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O.C22H21FN4.C21H16F4N4.C21H19FN4O.C20H16ClFN4/c1-17-15-21-22(29-17)11-12-23(26(21)27)30-24-13-14-28-25(31-24)16-18-7-9-20(10-8-18)32-19-5-3-2-4-6-19;1-13-8-14(2)10-16(9-13)12-21-24-7-6-20(27-21)26-19-5-4-18-17(22(19)23)11-15(3)25-18;1-12-10-14-16(27-12)6-7-17(20(14)22)28-18-8-9-26-19(29-18)11-13-4-2-3-5-15(13)21(23,24)25;1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14;1-12-10-14-16(24-12)6-7-17(20(14)22)25-18-8-9-23-19(26-18)11-13-4-2-3-5-15(13)21/h2-15,29H,16H2,1H3,(H,28,30,31);4-11,25H,12H2,1-3H3,(H,24,26,27);2-10,27H,11H2,1H3,(H,26,28,29);3-11,24H,12H2,1-2H3,(H,23,25,26);2-10,24H,11H2,1H3,(H,23,25,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine?
N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 1914.53 g/mol, XLogP of 27.79, 23 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 161036256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).