5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide

C68H72F4N10O11 — CID 157454005

IUPAC5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide
SMILESC=C1C=C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C=C(F)N1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC3=O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCCC3=O)n(C)c2C)ccc1F
InChIInChI=1S/C23H22F2N4O3.C23H26FN3O4.C22H24FN3O4/c1-11-8-15(6-7-17(11)24)27-22(31)19-13(3)20(29(5)14(19)4)21(30)23(32)28-16-9-12(2)26-18(25)10-16;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28;1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h6-10,26H,2H2,1,3-5H3,(H,27,31)(H,28,32);9-11,17H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t;17-;16-/m.11/s1
InChIKeyBTDDTNIVIXHSHD-ZQIBMYPJSA-N
MW1281.37 g/mol
LogP9.37
Rot. Bonds15

About 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide

5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 157454005) has the molecular formula C68H72F4N10O11 and a molecular weight of 1281.37 g/mol. Its IUPAC name is 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide
PubChem CID157454005
Molecular FormulaC68H72F4N10O11
Molecular Weight1281.37 g/mol
Exact Mass1280.53
IUPAC Name5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide
SMILESC=C1C=C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C=C(F)N1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC3=O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCCC3=O)n(C)c2C)ccc1F
InChIInChI=1S/C23H22F2N4O3.C23H26FN3O4.C22H24FN3O4/c1-11-8-15(6-7-17(11)24)27-22(31)19-13(3)20(29(5)14(19)4)21(30)23(32)28-16-9-12(2)26-18(25)10-16;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28;1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h6-10,26H,2H2,1,3-5H3,(H,27,31)(H,28,32);9-11,17H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t;17-;16-/m.11/s1
InChIKeyBTDDTNIVIXHSHD-ZQIBMYPJSA-N
XLogP9.37
TPSA286.77 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.37
LogP ≤ 59.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

5-[2-[[(2R,4R)-1-acetyl-2-methyl-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474271
5-[2-[[(4R)-1-acetyl-3,3-difluoro-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474397
5-[2-(1-ethylpropylamino)-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474415
5-[2-[[(4R)-1-acetyl-3,3-dimethyl-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474428
5-[2-[(1-acetyl-4-ethyl-4-piperidyl)amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474444
N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-5-[2-[[(1S,2S,4R)-norbornan-2-yl]amino]-2-oxo-acetyl]pyrrole-3-carboxamide
CID 156474480
4-ethyl-N-(4-fluoro-3-methyl-phenyl)-1,2-dimethyl-5-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-methyl-ethyl]amino]acetyl]pyrrole-3-carboxamide
CID 156474599
5-[2-[[(2R,4S)-1-acetyl-2-methyl-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474613
N-(4-fluoro-3-methyl-phenyl)-4-isopropyl-1,2-dimethyl-5-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-methyl-ethyl]amino]acetyl]pyrrole-3-carboxamide
CID 156474674
5-[2-[[(2S,4S)-1-acetyl-2-methyl-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474705
5-[2-[[(3R,4R)-1-acetyl-3-fluoro-4-piperidyl]amino]-2-oxo-acetyl]-N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-pyrrole-3-carboxamide
CID 156474743
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-3-carboxamide
CID 139533712

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide?
The IUPAC name of 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide (CID 157454005) is 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide is C=C1C=C(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C=C(F)N1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC3=O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCCC3=O)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide?
The InChIKey is BTDDTNIVIXHSHD-ZQIBMYPJSA-N. The full InChI is InChI=1S/C23H22F2N4O3.C23H26FN3O4.C22H24FN3O4/c1-11-8-15(6-7-17(11)24)27-22(31)19-13(3)20(29(5)14(19)4)21(30)23(32)28-16-9-12(2)26-18(25)10-16;1-12-11-15(9-10-16(12)24)25-22(30)19-13(2)20(27(4)14(19)3)21(29)23(31)26-17-7-5-6-8-18(17)28;1-11-10-14(8-9-15(11)23)24-21(29)18-12(2)19(26(4)13(18)3)20(28)22(30)25-16-6-5-7-17(16)27/h6-10,26H,2H2,1,3-5H3,(H,27,31)(H,28,32);9-11,17H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16H,5-7H2,1-4H3,(H,24,29)(H,25,30)/t;17-;16-/m.11/s1.
What are the key properties of 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide?
5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1281.37 g/mol, XLogP of 9.37, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluoro-6-methylidene-1H-pyridin-4-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1R)-2-oxocyclopentyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157454005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).