4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide

C83H93BrF12N12O9 — CID 163616471

IUPAC4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2cc(C(F)(F)C(=O)N3CCC(C)CC3)n(C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C21H23BrF3N3O2.2C21H24F3N3O2.C20H22F3N3O3/c1-12-6-8-28(9-7-12)20(30)21(24,25)18-15(22)11-17(27(18)3)19(29)26-14-4-5-16(23)13(2)10-14;1-13-6-8-27(9-7-13)20(29)21(23,24)18-11-15(12-26(18)3)19(28)25-16-4-5-17(22)14(2)10-16;1-13-8-10-27(11-9-13)20(29)21(23,24)18-7-6-17(26(18)3)19(28)25-15-4-5-16(22)14(2)12-15;1-12-11-13(3-4-16(12)21)24-18(28)15-7-8-25(2)17(15)20(22,23)19(29)26-9-5-14(27)6-10-26/h4-5,10-12H,6-9H2,1-3H3,(H,26,29);4-5,10-13H,6-9H2,1-3H3,(H,25,28);4-7,12-13H,8-11H2,1-3H3,(H,25,28);3-4,7-8,11,14,27H,5-6,9-10H2,1-2H3,(H,24,28)
InChIKeyHKKXSMRUKPQSGS-UHFFFAOYSA-N
MW1710.61 g/mol
LogP15.79
Rot. Bonds16

About 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide

4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 163616471) has the molecular formula C83H93BrF12N12O9 and a molecular weight of 1710.61 g/mol. Its IUPAC name is 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
PubChem CID163616471
Molecular FormulaC83H93BrF12N12O9
Molecular Weight1710.61 g/mol
Exact Mass1708.62
IUPAC Name4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2cc(C(F)(F)C(=O)N3CCC(C)CC3)n(C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C21H23BrF3N3O2.2C21H24F3N3O2.C20H22F3N3O3/c1-12-6-8-28(9-7-12)20(30)21(24,25)18-15(22)11-17(27(18)3)19(29)26-14-4-5-16(23)13(2)10-14;1-13-6-8-27(9-7-13)20(29)21(23,24)18-11-15(12-26(18)3)19(28)25-16-4-5-17(22)14(2)10-16;1-13-8-10-27(11-9-13)20(29)21(23,24)18-7-6-17(26(18)3)19(28)25-15-4-5-16(22)14(2)12-15;1-12-11-13(3-4-16(12)21)24-18(28)15-7-8-25(2)17(15)20(22,23)19(29)26-9-5-14(27)6-10-26/h4-5,10-12H,6-9H2,1-3H3,(H,26,29);4-5,10-13H,6-9H2,1-3H3,(H,25,28);4-7,12-13H,8-11H2,1-3H3,(H,25,28);3-4,7-8,11,14,27H,5-6,9-10H2,1-2H3,(H,24,28)
InChIKeyHKKXSMRUKPQSGS-UHFFFAOYSA-N
XLogP15.79
TPSA237.59 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.61
LogP ≤ 515.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide with MolForge

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Related Compounds

4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
CID 162014416
5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;2-[1,1-difluoro-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
CID 163792479
5-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoacetyl]-N-(6-fluoro-3-pyridinyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 157075549
5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-5-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-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;bis(N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide);N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[[(1R,3R)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 159784611

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide (CID 163616471) is 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide is Cc1cc(NC(=O)c2cc(Br)c(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2cc(C(F)(F)C(=O)N3CCC(C)CC3)n(C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(C(F)(F)C(=O)N3CCC(C)CC3)n2C)ccc1F.Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)N2CCC(O)CC2)ccc1F.
What is the InChIKey of 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is HKKXSMRUKPQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrF3N3O2.2C21H24F3N3O2.C20H22F3N3O3/c1-12-6-8-28(9-7-12)20(30)21(24,25)18-15(22)11-17(27(18)3)19(29)26-14-4-5-16(23)13(2)10-14;1-13-6-8-27(9-7-13)20(29)21(23,24)18-11-15(12-26(18)3)19(28)25-16-4-5-17(22)14(2)10-16;1-13-8-10-27(11-9-13)20(29)21(23,24)18-7-6-17(26(18)3)19(28)25-15-4-5-16(22)14(2)12-15;1-12-11-13(3-4-16(12)21)24-18(28)15-7-8-25(2)17(15)20(22,23)19(29)26-9-5-14(27)6-10-26/h4-5,10-12H,6-9H2,1-3H3,(H,26,29);4-5,10-13H,6-9H2,1-3H3,(H,25,28);4-7,12-13H,8-11H2,1-3H3,(H,25,28);3-4,7-8,11,14,27H,5-6,9-10H2,1-2H3,(H,24,28).
What are the key properties of 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?
4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 1710.61 g/mol, XLogP of 15.79, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-2-carboxamide;5-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 163616471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).