N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide

C204H215F8N27O26 — CID 163648617

IUPACN-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F
InChIInChI=1S/C27H27FN4O3.C27H30FN3O3.2C26H28FN3O3.C25H25FN4O3.C25H28FN3O3.C24H23FN4O4.C24H26FN3O4/c1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;2*1-15-12-19(9-10-20(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)21(31)13-26(4,5)18-8-7-11-28-14-18;1-14-21(23(32)19(31)13-25(3,4)20-8-7-11-28-20)15(2)30(6)22(14)24(33)29-16-9-10-17(26)18(12-16)27-5;1-14-12-17(9-10-18(14)26)28-24(32)22-15(2)21(16(3)29(22)6)23(31)19(30)13-25(4,5)20-8-7-11-27-20;1-13-19(21(31)18(30)12-24(3,4)23-27-9-10-33-23)14(2)29(6)20(13)22(32)28-15-7-8-16(25)17(11-15)26-5;1-13-11-16(7-8-17(13)25)27-22(31)20-14(2)19(15(3)28(20)6)21(30)18(29)12-24(4,5)23-26-9-10-32-23/h8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);2*7-12,14H,13H2,1-6H3,(H,29,33);8-12H,7,13H2,1-4,6H3,(H,29,33);8-12H,7,13H2,1-6H3,(H,28,32);7-11H,12H2,1-4,6H3,(H,28,32);7-11H,12H2,1-6H3,(H,27,31)
InChIKeyIKIGSYGMKDJFHH-UHFFFAOYSA-N
MW3613.11 g/mol
LogP39.41
Rot. Bonds56

About N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide

N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide (PubChem CID 163648617) has the molecular formula C204H215F8N27O26 and a molecular weight of 3613.11 g/mol. Its IUPAC name is N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide
PubChem CID163648617
Molecular FormulaC204H215F8N27O26
Molecular Weight3613.11 g/mol
Exact Mass3610.62
IUPAC NameN-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F
InChIInChI=1S/C27H27FN4O3.C27H30FN3O3.2C26H28FN3O3.C25H25FN4O3.C25H28FN3O3.C24H23FN4O4.C24H26FN3O4/c1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;2*1-15-12-19(9-10-20(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)21(31)13-26(4,5)18-8-7-11-28-14-18;1-14-21(23(32)19(31)13-25(3,4)20-8-7-11-28-20)15(2)30(6)22(14)24(33)29-16-9-10-17(26)18(12-16)27-5;1-14-12-17(9-10-18(14)26)28-24(32)22-15(2)21(16(3)29(22)6)23(31)19(30)13-25(4,5)20-8-7-11-27-20;1-13-19(21(31)18(30)12-24(3,4)23-27-9-10-33-23)14(2)29(6)20(13)22(32)28-15-7-8-16(25)17(11-15)26-5;1-13-11-16(7-8-17(13)25)27-22(31)20-14(2)19(15(3)28(20)6)21(30)18(29)12-24(4,5)23-26-9-10-32-23/h8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);2*7-12,14H,13H2,1-6H3,(H,29,33);8-12H,7,13H2,1-4,6H3,(H,29,33);8-12H,7,13H2,1-6H3,(H,28,32);7-11H,12H2,1-4,6H3,(H,28,32);7-11H,12H2,1-6H3,(H,27,31)
InChIKeyIKIGSYGMKDJFHH-UHFFFAOYSA-N
XLogP39.41
TPSA686.78 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds56
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003613.11
LogP ≤ 539.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 158370301
5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(2-methyl-1,3-oxazol-5-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 159132149
CID 161701305
CID 161701305
4-[3-[1-(2-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(2-methylpyrazol-3-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(2-methylpyrazol-3-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide
CID 164154773
CID 157794373
CID 157794373
1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-oxo-2-(pentan-3-ylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(5-methyl-1,3-oxazol-2-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 158260472
N-[3-fluoro-4-[5-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[5-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]propanamide;N-methyl-N-[3-methyl-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167659054

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide (CID 163648617) is N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CCC=N3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ncco3)c(C)n2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide?
The InChIKey is IKIGSYGMKDJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3.C27H30FN3O3.2C26H28FN3O3.C25H25FN4O3.C25H28FN3O3.C24H23FN4O4.C24H26FN3O4/c1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;2*1-15-12-19(9-10-20(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)21(31)13-26(4,5)18-8-7-11-28-14-18;1-14-21(23(32)19(31)13-25(3,4)20-8-7-11-28-20)15(2)30(6)22(14)24(33)29-16-9-10-17(26)18(12-16)27-5;1-14-12-17(9-10-18(14)26)28-24(32)22-15(2)21(16(3)29(22)6)23(31)19(30)13-25(4,5)20-8-7-11-27-20;1-13-19(21(31)18(30)12-24(3,4)23-27-9-10-33-23)14(2)29(6)20(13)22(32)28-15-7-8-16(25)17(11-15)26-5;1-13-11-16(7-8-17(13)25)27-22(31)20-14(2)19(15(3)28(20)6)21(30)18(29)12-24(4,5)23-26-9-10-32-23/h8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);2*7-12,14H,13H2,1-6H3,(H,29,33);8-12H,7,13H2,1-4,6H3,(H,29,33);8-12H,7,13H2,1-6H3,(H,28,32);7-11H,12H2,1-4,6H3,(H,28,32);7-11H,12H2,1-6H3,(H,27,31).
What are the key properties of N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide?
N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide has a molecular weight of 3613.11 g/mol, XLogP of 39.41, 56 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1,3-oxazol-2-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide);N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(3H-pyrrol-5-yl)pentanoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 163648617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).