methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate

C25H26N6O4 — CID 118070958

IUPACmethyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(C)cc4)cn3C)cn2C)n1C
InChIInChI=1S/C25H26N6O4/c1-15-6-8-16(9-7-15)17-10-19(29(2)13-17)23(32)27-18-11-20(30(3)14-18)24(33)28-21-12-26-22(31(21)4)25(34)35-5/h6-14H,1-5H3,(H,27,32)(H,28,33)
InChIKeySRIIOARAKLHTRS-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.36
Rot. Bonds6

About methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate

methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate (PubChem CID 118070958) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
PubChem CID118070958
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Namemethyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(C)cc4)cn3C)cn2C)n1C
InChIInChI=1S/C25H26N6O4/c1-15-6-8-16(9-7-15)17-10-19(29(2)13-17)23(32)27-18-11-20(30(3)14-18)24(33)28-21-12-26-22(31(21)4)25(34)35-5/h6-14H,1-5H3,(H,27,32)(H,28,33)
InChIKeySRIIOARAKLHTRS-UHFFFAOYSA-N
XLogP3.36
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate with MolForge

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Related Compounds

methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
methyl 1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 69410524
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
methyl 4-[4-[[4-[[4-[4-(dimethylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 69156537
methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate
CID 67253107
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
methyl 4-[[4-[2-[4-(4-aminophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 160927737
methyl 1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydrate
CID 157094570
tert-butyl N-[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 139573166
4-[4-(2-carbamoylpyrrol-1-yl)phenyl]-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 156672947
methyl 1-methyl-4-[4-[(1-methyl-4-propan-2-ylimidazole-2-carbonyl)amino]phenyl]pyrrole-2-carboxylate
CID 118069032

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate (CID 118070958) is methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate is COC(=O)c1ncc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(C)cc4)cn3C)cn2C)n1C.
What is the InChIKey of methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The InChIKey is SRIIOARAKLHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15-6-8-16(9-7-15)17-10-19(29(2)13-17)23(32)27-18-11-20(30(3)14-18)24(33)28-21-12-26-22(31(21)4)25(34)35-5/h6-14H,1-5H3,(H,27,32)(H,28,33).
What are the key properties of methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate is sourced from PubChem (CID 118070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).