About N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide (PubChem CID 157081741) has the molecular formula C197H215Cl6N31O12
and a molecular weight of 3421.81 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide?
The IUPAC name of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide (CID 157081741) is N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide.
What is the SMILES notation for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide?
The canonical SMILES for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide is CN(C)C/C=C/C(=O)Cc1ccc(C(=O)NC2CCCC(Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.CN(C)C/C=C/C(=O)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.CN(C)C/C=C/C(=O)Cc1ccc(C(=O)N[C@@H]2CCC[C@H](Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.CN(C)C/C=C/C(=O)Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.CN(C)C/C=C/C(=O)Cc1ccc(C(=O)N[C@H]2CCC[C@H](Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)NC2CCC(Cc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)cc1.
What is the InChIKey of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide?
The InChIKey is ADPXTGCLWIUANK-NPABTBBRSA-N. The full InChI is InChI=1S/5C33H36ClN5O2.C32H35ClN6O2/c5*1-39(2)16-6-9-26(40)18-22-12-14-24(15-13-22)33(41)37-25-8-5-7-23(17-25)19-31-36-21-29(34)32(38-31)28-20-35-30-11-4-3-10-27(28)30;1-39(2)17-5-8-30(40)36-23-15-11-22(12-16-23)32(41)37-24-13-9-21(10-14-24)18-29-35-20-27(33)31(38-29)26-19-34-28-7-4-3-6-25(26)28/h5*3-4,6,9-15,20-21,23,25,35H,5,7-8,16-19H2,1-2H3,(H,37,41);3-8,11-12,15-16,19-21,24,34H,9-10,13-14,17-18H2,1-2H3,(H,36,40)(H,37,41)/b5*9-6+;8-5+/t2*23-,25+;2*23-,25-;;/m1010../s1.
What are the key properties of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide?
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide has a molecular weight of 3421.81 g/mol, XLogP of 36.06, 59 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[(1R,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1R,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]benzamide is sourced from PubChem (CID 157081741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).