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

C97H113F10N19O7 — CID 159268511

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1.COc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2.C20H26N4O.C19H20F3N3O2.C19H20F3N3O.C19H25FN6O/c1-28-18-8-3-2-7-17(18)26-11-9-25(10-12-26)14-19(27)24-16-6-4-5-15(13-16)20(21,22)23;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)15-2-1-3-17(12-15)24-18(26)23-16-6-4-14(5-7-16)13-25-8-10-27-11-9-25;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;1-25(2)18-17(11-21-13-22-18)24-19(27)23-16-7-9-26(10-8-16)12-14-3-5-15(20)6-4-14/h2-8,13H,9-12,14H2,1H3,(H,24,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);1-7,12H,8-11,13H2,(H2,23,24,26);3-9,12H,1-2,10-11,13H2,(H2,23,24,26);3-6,11,13,16H,7-10,12H2,1-2H3,(H2,23,24,27)
InChIKeyKXKFCKQVNZSYAR-UHFFFAOYSA-N
MW1847.08 g/mol
LogP18.67
Rot. Bonds22

About 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159268511) has the molecular formula C97H113F10N19O7 and a molecular weight of 1847.08 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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID159268511
Molecular FormulaC97H113F10N19O7
Molecular Weight1847.08 g/mol
Exact Mass1845.89
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1.COc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2.C20H26N4O.C19H20F3N3O2.C19H20F3N3O.C19H25FN6O/c1-28-18-8-3-2-7-17(18)26-11-9-25(10-12-26)14-19(27)24-16-6-4-5-15(13-16)20(21,22)23;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)15-2-1-3-17(12-15)24-18(26)23-16-6-4-14(5-7-16)13-25-8-10-27-11-9-25;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;1-25(2)18-17(11-21-13-22-18)24-19(27)23-16-7-9-26(10-8-16)12-14-3-5-15(20)6-4-14/h2-8,13H,9-12,14H2,1H3,(H,24,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);1-7,12H,8-11,13H2,(H2,23,24,26);3-9,12H,1-2,10-11,13H2,(H2,23,24,26);3-6,11,13,16H,7-10,12H2,1-2H3,(H2,23,24,27)
InChIKeyKXKFCKQVNZSYAR-UHFFFAOYSA-N
XLogP18.67
TPSA264.64 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.08
LogP ≤ 518.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

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

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Related Compounds

3-(2-methoxyphenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-[(3S)-1-propanoylpyrrolidin-3-yl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 137638779
2-(Dimethylamino)-1-[4-[6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 139390020
1-[6-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 139390177
4-N-[1-[3-(4-morpholin-4-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]imidazol-2-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 49798075
N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[3-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]pyridin-4-yl]methoxy]pyridin-2-yl]piperazine-1-carboxamide
CID 10416564
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[3-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]pyridin-4-yl]methoxy]pyridin-2-yl]piperazine-1-carboxamide
CID 59013791
5-{7-[5-(4-acetyl-piperazin-1-ylmethyl)-2-fluoro-phenyl]-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl}-pyrimidin-2-yl-bis-(4-methoxy-benzyl)-amine
CID 67385896
4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 67386191
4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [4-(4-ethyl-piperazin-1-yl)-2,6-difluoro-phenyl]-amide
CID 67386213
4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 67386357
1-cyclopentyl-3-[4-methyl-3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]urea;4,4,4-trifluoro-3-methyl-N-[4-methyl-3-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]butanamide
CID 87369046
1-[(2R,4S)-4-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-yl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-morpholin-4-ylethanone
CID 87546986

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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159268511) is 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-pyridin-2-ylurea;1-[4-(dimethylamino)pyrimidin-5-yl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CC1CC(N(C)C(=O)Nc2ccccn2)CCN1Cc1ccccc1.CN(C)c1ncncc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1.COc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1.O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(CN2CCOCC2)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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KXKFCKQVNZSYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.C20H26N4O.C19H20F3N3O2.C19H20F3N3O.C19H25FN6O/c1-28-18-8-3-2-7-17(18)26-11-9-25(10-12-26)14-19(27)24-16-6-4-5-15(13-16)20(21,22)23;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)15-2-1-3-17(12-15)24-18(26)23-16-6-4-14(5-7-16)13-25-8-10-27-11-9-25;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;1-25(2)18-17(11-21-13-22-18)24-19(27)23-16-7-9-26(10-8-16)12-14-3-5-15(20)6-4-14/h2-8,13H,9-12,14H2,1H3,(H,24,27);3-10,12,16,18H,11,13-15H2,1-2H3,(H,21,22,25);1-7,12H,8-11,13H2,(H2,23,24,26);3-9,12H,1-2,10-11,13H2,(H2,23,24,26);3-6,11,13,16H,7-10,12H2,1-2H3,(H2,23,24,27).
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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1847.08 g/mol, XLogP of 18.67, 22 rotatable bonds, 8 hydrogen bond donors, and 17 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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea;2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-[4-(morpholin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159268511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).