N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide

C158H176F6N32O18S — CID 157477380

IUPACN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cnccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ncccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4nccs4)CC3)n(C)c2C)ccc1F
InChIInChI=1S/C28H31FN4O3.C27H30FN5O3.3C26H29FN6O3.C25H28FN5O3S/c1-17-16-21(10-11-23(17)29)31-27(35)24-18(2)25(32(4)19(24)3)26(34)28(36)30-20-12-14-33(15-13-20)22-8-6-5-7-9-22;1-16-15-20(8-9-21(16)28)31-26(35)23-17(2)24(32(4)18(23)3)25(34)27(36)30-19-10-13-33(14-11-19)22-7-5-6-12-29-22;1-15-14-19(6-7-20(15)27)31-24(35)21-16(2)22(32(4)17(21)3)23(34)25(36)30-18-8-12-33(13-9-18)26-28-10-5-11-29-26;1-15-13-19(5-6-20(15)27)31-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)30-18-7-11-33(12-8-18)21-14-28-9-10-29-21;1-15-14-19(7-8-20(15)27)30-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)29-18-9-12-33(13-10-18)21-6-5-11-28-31-21;1-14-13-18(5-6-19(14)26)29-23(33)20-15(2)21(30(4)16(20)3)22(32)24(34)28-17-7-10-31(11-8-17)25-27-9-12-35-25/h5-11,16,20H,12-15H2,1-4H3,(H,30,36)(H,31,35);5-9,12,15,19H,10-11,13-14H2,1-4H3,(H,30,36)(H,31,35);5-7,10-11,14,18H,8-9,12-13H2,1-4H3,(H,30,36)(H,31,35);5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,30,36)(H,31,35);5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,29,36)(H,30,35);5-6,9,12-13,17H,7-8,10-11H2,1-4H3,(H,28,34)(H,29,33)
InChIKeyBVTHJRAUZXNUGE-UHFFFAOYSA-N
MW2957.41 g/mol
LogP21.08
Rot. Bonds36

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 157477380) has the molecular formula C158H176F6N32O18S and a molecular weight of 2957.41 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide
PubChem CID157477380
Molecular FormulaC158H176F6N32O18S
Molecular Weight2957.41 g/mol
Exact Mass2955.35
IUPAC NameN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cnccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ncccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4nccs4)CC3)n(C)c2C)ccc1F
InChIInChI=1S/C28H31FN4O3.C27H30FN5O3.3C26H29FN6O3.C25H28FN5O3S/c1-17-16-21(10-11-23(17)29)31-27(35)24-18(2)25(32(4)19(24)3)26(34)28(36)30-20-12-14-33(15-13-20)22-8-6-5-7-9-22;1-16-15-20(8-9-21(16)28)31-26(35)23-17(2)24(32(4)18(23)3)25(34)27(36)30-19-10-13-33(14-11-19)22-7-5-6-12-29-22;1-15-14-19(6-7-20(15)27)31-24(35)21-16(2)22(32(4)17(21)3)23(34)25(36)30-18-8-12-33(13-9-18)26-28-10-5-11-29-26;1-15-13-19(5-6-20(15)27)31-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)30-18-7-11-33(12-8-18)21-14-28-9-10-29-21;1-15-14-19(7-8-20(15)27)30-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)29-18-9-12-33(13-10-18)21-6-5-11-28-31-21;1-14-13-18(5-6-19(14)26)29-23(33)20-15(2)21(30(4)16(20)3)22(32)24(34)28-17-7-10-31(11-8-17)25-27-9-12-35-25/h5-11,16,20H,12-15H2,1-4H3,(H,30,36)(H,31,35);5-9,12,15,19H,10-11,13-14H2,1-4H3,(H,30,36)(H,31,35);5-7,10-11,14,18H,8-9,12-13H2,1-4H3,(H,30,36)(H,31,35);5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,30,36)(H,31,35);5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,29,36)(H,30,35);5-6,9,12-13,17H,7-8,10-11H2,1-4H3,(H,28,34)(H,29,33)
InChIKeyBVTHJRAUZXNUGE-UHFFFAOYSA-N
XLogP21.08
TPSA603.76 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.41
LogP ≤ 521.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505506
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505508
5-[2-[2-[1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-7-fluoro-3-oxo-1H-isoindol-5-yl]ethynyl]-N-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 156505971
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156506411
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515593
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515675
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515676
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515877
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156516098
1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 157491500
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[5-[2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 158101125
2-methyl-N-[(1S)-1-[5-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-2-yl)ethynyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[4-oxo-3-phenyl-5-(3,3,3-trifluoroprop-1-ynyl)quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158369455

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide (CID 157477380) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4cnccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4ncccn4)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCN(c4nccs4)CC3)n(C)c2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide?
The InChIKey is BVTHJRAUZXNUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3.C27H30FN5O3.3C26H29FN6O3.C25H28FN5O3S/c1-17-16-21(10-11-23(17)29)31-27(35)24-18(2)25(32(4)19(24)3)26(34)28(36)30-20-12-14-33(15-13-20)22-8-6-5-7-9-22;1-16-15-20(8-9-21(16)28)31-26(35)23-17(2)24(32(4)18(23)3)25(34)27(36)30-19-10-13-33(14-11-19)22-7-5-6-12-29-22;1-15-14-19(6-7-20(15)27)31-24(35)21-16(2)22(32(4)17(21)3)23(34)25(36)30-18-8-12-33(13-9-18)26-28-10-5-11-29-26;1-15-13-19(5-6-20(15)27)31-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)30-18-7-11-33(12-8-18)21-14-28-9-10-29-21;1-15-14-19(7-8-20(15)27)30-25(35)22-16(2)23(32(4)17(22)3)24(34)26(36)29-18-9-12-33(13-10-18)21-6-5-11-28-31-21;1-14-13-18(5-6-19(14)26)29-23(33)20-15(2)21(30(4)16(20)3)22(32)24(34)28-17-7-10-31(11-8-17)25-27-9-12-35-25/h5-11,16,20H,12-15H2,1-4H3,(H,30,36)(H,31,35);5-9,12,15,19H,10-11,13-14H2,1-4H3,(H,30,36)(H,31,35);5-7,10-11,14,18H,8-9,12-13H2,1-4H3,(H,30,36)(H,31,35);5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,30,36)(H,31,35);5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,29,36)(H,30,35);5-6,9,12-13,17H,7-8,10-11H2,1-4H3,(H,28,34)(H,29,33).
What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2957.41 g/mol, XLogP of 21.08, 36 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157477380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).