About N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (PubChem CID 158234902) has the molecular formula C172H175F18N35
and a molecular weight of 3074.50 g/mol. Its IUPAC name is N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The IUPAC name of N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (CID 158234902) is N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.
What is the SMILES notation for N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The canonical SMILES for N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is CC1=Cc2c(ccc(CN3CCC(Nc4ncnc5cc(CC(F)(F)F)ccc45)CC3)c2C)C1.CC1=Cc2c(ccc(CN3CCC(Nc4ncnc5ccc(CC(F)(F)F)cc45)CC3)c2C)C1.CC1=Cc2c(ccc(CN3CCC(Nc4ncnc5ncc(CC(F)(F)F)cc45)CC3)c2C)C1.Cc1c(CN2CCC(Nc3ncnc4cc(CC(F)(F)F)ccc34)CC2)ccc2c1cc(C#N)n2Cc1cc[nH]c1.Cc1c(CN2CCC(Nc3ncnc4ccc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cc[nH]c1.Cc1c(CN2CCC(Nc3ncnc4ncc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cc[nH]c1.
What is the InChIKey of N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The InChIKey is GEVNGLKKDLHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H30F3N7.C30H29F3N8.2C27H29F3N4.C26H28F3N5/c1-20-23(3-5-29-26(20)13-25(15-35)41(29)17-22-6-9-36-16-22)18-40-10-7-24(8-11-40)39-30-27-12-21(14-31(32,33)34)2-4-28(27)37-19-38-30;1-20-23(3-5-29-27(20)13-25(15-35)41(29)17-22-6-9-36-16-22)18-40-10-7-24(8-11-40)39-30-26-4-2-21(14-31(32,33)34)12-28(26)37-19-38-30;1-19-22(2-3-27-25(19)11-24(13-34)41(27)16-20-4-7-35-14-20)17-40-8-5-23(6-9-40)39-29-26-10-21(12-30(31,32)33)15-36-28(26)37-18-38-29;1-17-11-20-4-5-21(18(2)23(20)12-17)15-34-9-7-22(8-10-34)33-26-24-13-19(14-27(28,29)30)3-6-25(24)31-16-32-26;1-17-11-20-4-5-21(18(2)24(20)12-17)15-34-9-7-22(8-10-34)33-26-23-6-3-19(14-27(28,29)30)13-25(23)31-16-32-26;1-16-9-19-3-4-20(17(2)22(19)10-16)14-34-7-5-21(6-8-34)33-25-23-11-18(12-26(27,28)29)13-30-24(23)31-15-32-25/h2*2-6,9,12-13,16,19,24,36H,7-8,10-11,14,17-18H2,1H3,(H,37,38,39);2-4,7,10-11,14-15,18,23,35H,5-6,8-9,12,16-17H2,1H3,(H,36,37,38,39);2*3-6,12-13,16,22H,7-11,14-15H2,1-2H3,(H,31,32,33);3-4,10-11,13,15,21H,5-9,12,14H2,1-2H3,(H,30,31,32,33).
What are the key properties of N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile has a molecular weight of 3074.50 g/mol, XLogP of 35.99, 36 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 158234902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).