5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

C135H160F8N18O23 — CID 159465402

IUPAC5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)c(C)n2C)CCCC1.CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c(C)n1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@H]3O)n(C)c2C)ccc1F
InChIInChI=1S/C23H25F2N3O4.3C23H28FN3O4.C22H26FN3O4.C21H25F2N3O3/c1-12-18(21(31)26-15-7-8-16(24)17(25)11-15)13(2)28(4)19(12)20(30)22(32)27-23(14(3)29)9-5-6-10-23;2*1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15;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;1-7-21(4,5)25-20(29)18(27)17-11(2)16(12(3)26(17)6)19(28)24-13-8-9-14(22)15(23)10-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,26,31)(H,27,32);2*7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30);8-10H,7H2,1-6H3,(H,24,28)(H,25,29)/t;11-,17+,20+;11-,17+,20-;17-,18-;16-,17+;/m.0011./s1
InChIKeyLVCPQQLKTABAGO-QQDPJSLVSA-N
MW2554.85 g/mol
LogP18.13
Rot. Bonds32

About 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide

5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 159465402) has the molecular formula C135H160F8N18O23 and a molecular weight of 2554.85 g/mol. Its IUPAC name is 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
PubChem CID159465402
Molecular FormulaC135H160F8N18O23
Molecular Weight2554.85 g/mol
Exact Mass2553.18
IUPAC Name5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)c(C)n2C)CCCC1.CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c(C)n1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@H]3O)n(C)c2C)ccc1F
InChIInChI=1S/C23H25F2N3O4.3C23H28FN3O4.C22H26FN3O4.C21H25F2N3O3/c1-12-18(21(31)26-15-7-8-16(24)17(25)11-15)13(2)28(4)19(12)20(30)22(32)27-23(14(3)29)9-5-6-10-23;2*1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15;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;1-7-21(4,5)25-20(29)18(27)17-11(2)16(12(3)26(17)6)19(28)24-13-8-9-14(22)15(23)10-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,26,31)(H,27,32);2*7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30);8-10H,7H2,1-6H3,(H,24,28)(H,25,29)/t;11-,17+,20+;11-,17+,20-;17-,18-;16-,17+;/m.0011./s1
InChIKeyLVCPQQLKTABAGO-QQDPJSLVSA-N
XLogP18.13
TPSA579.19 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002554.85
LogP ≤ 518.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide (CID 159465402) is 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is CC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(F)c3)c(C)n2C)CCCC1.CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c(C)n1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCCC[C@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCC[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H]3O)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@H]3O)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?
The InChIKey is LVCPQQLKTABAGO-QQDPJSLVSA-N. The full InChI is InChI=1S/C23H25F2N3O4.3C23H28FN3O4.C22H26FN3O4.C21H25F2N3O3/c1-12-18(21(31)26-15-7-8-16(24)17(25)11-15)13(2)28(4)19(12)20(30)22(32)27-23(14(3)29)9-5-6-10-23;2*1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15;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;1-7-21(4,5)25-20(29)18(27)17-11(2)16(12(3)26(17)6)19(28)24-13-8-9-14(22)15(23)10-13/h7-8,11H,5-6,9-10H2,1-4H3,(H,26,31)(H,27,32);2*7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31);9-11,17-18,28H,5-8H2,1-4H3,(H,25,30)(H,26,31);8-10,16-17,27H,5-7H2,1-4H3,(H,24,29)(H,25,30);8-10H,7H2,1-6H3,(H,24,28)(H,25,29)/t;11-,17+,20+;11-,17+,20-;17-,18-;16-,17+;/m.0011./s1.
What are the key properties of 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide?
5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 2554.85 g/mol, XLogP of 18.13, 32 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-acetylcyclopentyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(3,4-difluorophenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2R,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 159465402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).