1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C99H115F10N17O6 — CID 159348239

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCC(Cc2ccc(F)cc2)CC1.Cc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Cc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O.C20H21F3N2O2.C20H26FN5O.C20H26N4O.C19H20F3N3O/c1-15-5-2-3-8-18(15)26-11-9-25(10-12-26)14-19(27)24-17-7-4-6-16(13-17)20(21,22)23;21-20(22,23)17-2-1-3-18(13-17)24-19(26)12-15-4-6-16(7-5-15)14-25-8-10-27-11-9-25;1-26(2)19-18(12-22-13-23-19)25-20(27)24-17-9-5-15(6-10-17)11-14-3-7-16(21)8-4-14;1-16-14-18(11-13-24(16)15-17-8-4-3-5-9-17)23(2)20(25)22-19-10-6-7-12-21-19;20-19(21,22)15-4-3-5-17(12-15)24-18(26)23-16-8-6-14(7-9-16)13-25-10-1-2-11-25/h2-8,13H,9-12,14H2,1H3,(H,24,27);1-7,13H,8-12,14H2,(H,24,26);3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3,(H2,24,25,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);3-9,12H,1-2,10-11,13H2,(H2,23,24,26)
InChIKeyLGZOYUNNWHPTTD-UHFFFAOYSA-N
MW1829.10 g/mol
LogP19.64
Rot. Bonds22

About 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159348239) has the molecular formula C99H115F10N17O6 and a molecular weight of 1829.10 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID159348239
Molecular FormulaC99H115F10N17O6
Molecular Weight1829.10 g/mol
Exact Mass1827.91
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCC(Cc2ccc(F)cc2)CC1.Cc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Cc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O.C20H21F3N2O2.C20H26FN5O.C20H26N4O.C19H20F3N3O/c1-15-5-2-3-8-18(15)26-11-9-25(10-12-26)14-19(27)24-17-7-4-6-16(13-17)20(21,22)23;21-20(22,23)17-2-1-3-18(13-17)24-19(26)12-15-4-6-16(7-5-15)14-25-8-10-27-11-9-25;1-26(2)19-18(12-22-13-23-19)25-20(27)24-17-9-5-15(6-10-17)11-14-3-7-16(21)8-4-14;1-16-14-18(11-13-24(16)15-17-8-4-3-5-9-17)23(2)20(25)22-19-10-6-7-12-21-19;20-19(21,22)15-4-3-5-17(12-15)24-18(26)23-16-8-6-14(7-9-16)13-25-10-1-2-11-25/h2-8,13H,9-12,14H2,1H3,(H,24,27);1-7,13H,8-12,14H2,(H,24,26);3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3,(H2,24,25,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);3-9,12H,1-2,10-11,13H2,(H2,23,24,26)
InChIKeyLGZOYUNNWHPTTD-UHFFFAOYSA-N
XLogP19.64
TPSA240.14 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.10
LogP ≤ 519.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyridin-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 24743122
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 58973149
(2R)-3-cyclohexyl-2-[(2-morpholin-4-yl-6-pyrrol-1-ylpyrimidin-4-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 59122390
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 66548057
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 66548058
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 66548059
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 66548060
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 66548230
1-[4-[3-(Dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(6-fluoro-4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]urea
CID 67514469
1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(6-fluoro-4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]urea
CID 68913647
1-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(6-fluoro-4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]urea
CID 69669459
6-[2-Fluoro-4-(1-methylpiperidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 70934235

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159348239) is 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCC(Cc2ccc(F)cc2)CC1.Cc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Cc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LGZOYUNNWHPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O.C20H21F3N2O2.C20H26FN5O.C20H26N4O.C19H20F3N3O/c1-15-5-2-3-8-18(15)26-11-9-25(10-12-26)14-19(27)24-17-7-4-6-16(13-17)20(21,22)23;21-20(22,23)17-2-1-3-18(13-17)24-19(26)12-15-4-6-16(7-5-15)14-25-8-10-27-11-9-25;1-26(2)19-18(12-22-13-23-19)25-20(27)24-17-9-5-15(6-10-17)11-14-3-7-16(21)8-4-14;1-16-14-18(11-13-24(16)15-17-8-4-3-5-9-17)23(2)20(25)22-19-10-6-7-12-21-19;20-19(21,22)15-4-3-5-17(12-15)24-18(26)23-16-8-6-14(7-9-16)13-25-10-1-2-11-25/h2-8,13H,9-12,14H2,1H3,(H,24,27);1-7,13H,8-12,14H2,(H,24,26);3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3,(H2,24,25,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);3-9,12H,1-2,10-11,13H2,(H2,23,24,26).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1829.10 g/mol, XLogP of 19.64, 22 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[4-[(4-fluorophenyl)methyl]cyclohexyl]urea;2-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;2-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159348239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).