About N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 164980640) has the molecular formula C128H115ClF24N34O3
and a molecular weight of 2668.97 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
Frequently Asked Questions
What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 164980640) is N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is CN(C)c1ccc(CNc2nccc3[nH]cc(C(F)(F)F)c23)cc1.CN1CCC(Nc2nccc3[nH]cc(C(F)(F)F)c23)c2ccccc21.CN1CC[C@@H](Nc2ncnc3[nH]cc(C(F)(F)F)c23)c2ccccc21.CN1CC[C@H](Nc2ncnc3[nH]cc(C(F)(F)F)c23)c2ccccc21.COc1cccc(OC)c1CNc1ncnc2[nH]cc(C(F)(F)F)c12.COc1ccccc1CNc1ncnc2[nH]cc(C(F)(F)F)c12.FC(F)(F)c1c[nH]c2ccnc(NCc3cccnc3)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccc(Cl)c3)c12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is FKWNXTVAVILADO-SXNQOKHZSA-N. The full InChI is InChI=1S/C18H17F3N4.2C17H16F3N5.C17H17F3N4.C16H15F3N4O2.C15H13F3N4O.C14H10ClF3N4.C14H11F3N4/c1-25-9-7-13(11-4-2-3-5-15(11)25)24-17-16-12(18(19,20)21)10-23-14(16)6-8-22-17;2*1-25-7-6-12(10-4-2-3-5-13(10)25)24-16-14-11(17(18,19)20)8-21-15(14)22-9-23-16;1-24(2)12-5-3-11(4-6-12)9-23-16-15-13(17(18,19)20)10-22-14(15)7-8-21-16;1-24-11-4-3-5-12(25-2)9(11)6-20-14-13-10(16(17,18)19)7-21-15(13)23-8-22-14;1-23-11-5-3-2-4-9(11)6-19-13-12-10(15(16,17)18)7-20-14(12)22-8-21-13;15-9-3-1-2-8(4-9)5-19-12-11-10(14(16,17)18)6-20-13(11)22-7-21-12;15-14(16,17)10-8-20-11-3-5-19-13(12(10)11)21-7-9-2-1-4-18-6-9/h2-6,8,10,13,23H,7,9H2,1H3,(H,22,24);2*2-5,8-9,12H,6-7H2,1H3,(H2,21,22,23,24);3-8,10,22H,9H2,1-2H3,(H,21,23);3-5,7-8H,6H2,1-2H3,(H2,20,21,22,23);2-5,7-8H,6H2,1H3,(H2,19,20,21,22);1-4,6-7H,5H2,(H2,19,20,21,22);1-6,8,20H,7H2,(H,19,21)/t;2*12-;;;;;/m.10...../s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 2668.97 g/mol, XLogP of 31.81, 25 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2,6-dimethoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[[4-(dimethylamino)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-[3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4S)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;(4R)-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine;N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 164980640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).