N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide

C72H91F3N12O10 — CID 157293883

IUPACN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide
SMILESC=C1CN(CCNC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCN1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCCN3CCOCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3C[C@@H](C)C3(C)C)n(C)c2C)ccc1F
InChIInChI=1S/C24H30FN5O3.C24H31FN4O4.C24H30FN3O3/c1-14-12-18(6-7-19(14)25)28-23(32)20-16(3)21(29(5)17(20)4)22(31)24(33)27-9-11-30-10-8-26-15(2)13-30;1-15-14-18(6-7-19(15)25)27-23(31)20-16(2)21(28(4)17(20)3)22(30)24(32)26-8-5-9-29-10-12-33-13-11-29;1-12-10-16(8-9-17(12)25)26-22(30)19-14(3)20(28(7)15(19)4)21(29)23(31)27-18-11-13(2)24(18,5)6/h6-7,12,26H,2,8-11,13H2,1,3-5H3,(H,27,33)(H,28,32);6-7,14H,5,8-13H2,1-4H3,(H,26,32)(H,27,31);8-10,13,18H,11H2,1-7H3,(H,26,30)(H,27,31)/t;;13-,18+/m..1/s1
InChIKeyBBCQRXIYSLIAOZ-UNVDYKRXSA-N
MW1341.59 g/mol
LogP8.50
Rot. Bonds20

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 157293883) has the molecular formula C72H91F3N12O10 and a molecular weight of 1341.59 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide
PubChem CID157293883
Molecular FormulaC72H91F3N12O10
Molecular Weight1341.59 g/mol
Exact Mass1340.69
IUPAC NameN-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide
SMILESC=C1CN(CCNC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCN1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCCN3CCOCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3C[C@@H](C)C3(C)C)n(C)c2C)ccc1F
InChIInChI=1S/C24H30FN5O3.C24H31FN4O4.C24H30FN3O3/c1-14-12-18(6-7-19(14)25)28-23(32)20-16(3)21(29(5)17(20)4)22(31)24(33)27-9-11-30-10-8-26-15(2)13-30;1-15-14-18(6-7-19(15)25)27-23(31)20-16(2)21(28(4)17(20)3)22(30)24(32)26-8-5-9-29-10-12-33-13-11-29;1-12-10-16(8-9-17(12)25)26-22(30)19-14(3)20(28(7)15(19)4)21(29)23(31)27-18-11-13(2)24(18,5)6/h6-7,12,26H,2,8-11,13H2,1,3-5H3,(H,27,33)(H,28,32);6-7,14H,5,8-13H2,1-4H3,(H,26,32)(H,27,31);8-10,13,18H,11H2,1-7H3,(H,26,30)(H,27,31)/t;;13-,18+/m..1/s1
InChIKeyBBCQRXIYSLIAOZ-UNVDYKRXSA-N
XLogP8.50
TPSA268.34 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.59
LogP ≤ 58.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-2-methyl-3-[2-[[(3S,4S)-4-morpholinotetrahydrofuran-3-yl]amino]-2-oxo-acetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 156474308
N-(4-fluoro-3-methyl-phenyl)-1,2,4-trimethyl-5-[2-(2-morpholinoanilino)-2-oxo-acetyl]pyrrole-3-carboxamide
CID 156474602
(2R)-N-[(1R)-1-cyclohexyl-2-[4-[1-[2-[2-[2-[[2-[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-5-fluoroindol-1-yl]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-5-fluoroindole-2-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 146318881
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146449709
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(morpholin-4-ylmethyl)cyclohexyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146449859
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]pyrrole-3-carboxamide
CID 146449985
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(1-morpholin-4-ylpropan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
CID 146450199
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146450407
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(morpholin-4-ylmethyl)cyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146450410
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146450447
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-morpholin-4-ylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 146450451
4-[2-[3-[bis[3-[[2-[5-[(3,4-difluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]amino]propyl]amino]propylamino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethylpyrrole-2-carboxamide
CID 146512503

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide (CID 157293883) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide is C=C1CN(CCNC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CCN1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCCN3CCOCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3C[C@@H](C)C3(C)C)n(C)c2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide?
The InChIKey is BBCQRXIYSLIAOZ-UNVDYKRXSA-N. The full InChI is InChI=1S/C24H30FN5O3.C24H31FN4O4.C24H30FN3O3/c1-14-12-18(6-7-19(14)25)28-23(32)20-16(3)21(29(5)17(20)4)22(31)24(33)27-9-11-30-10-8-26-15(2)13-30;1-15-14-18(6-7-19(15)25)27-23(31)20-16(2)21(28(4)17(20)3)22(30)24(32)26-8-5-9-29-10-12-33-13-11-29;1-12-10-16(8-9-17(12)25)26-22(30)19-14(3)20(28(7)15(19)4)21(29)23(31)27-18-11-13(2)24(18,5)6/h6-7,12,26H,2,8-11,13H2,1,3-5H3,(H,27,33)(H,28,32);6-7,14H,5,8-13H2,1-4H3,(H,26,32)(H,27,31);8-10,13,18H,11H2,1-7H3,(H,26,30)(H,27,31)/t;;13-,18+/m..1/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1341.59 g/mol, XLogP of 8.50, 20 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(3-methylidenepiperazin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[(1S,3R)-2,2,3-trimethylcyclobutyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157293883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).