Skip to content

(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate

C23H28N6O7 — CID 59799128

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
SMILESCOC(=O)c1cc(OC(=O)c2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C
InChIInChI=1S/C23H28N6O7/c1-23(2,3)36-22(33)24-13-8-15(27(4)10-13)19(30)26-17-12-29(6)18(25-17)21(32)35-14-9-16(20(31)34-7)28(5)11-14/h8-12H,1-7H3,(H,24,33)(H,26,30)
InChIKeyUXAJXKUILAJRJY-UHFFFAOYSA-N
MW500.51 g/mol
LogP2.70
Rot. Bonds6

About (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate

(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate (PubChem CID 59799128) has the molecular formula C23H28N6O7 and a molecular weight of 500.51 g/mol. Its IUPAC name is (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
PubChem CID59799128
Molecular FormulaC23H28N6O7
Molecular Weight500.51 g/mol
Exact Mass500.20
IUPAC Name(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
SMILESCOC(=O)c1cc(OC(=O)c2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C
InChIInChI=1S/C23H28N6O7/c1-23(2,3)36-22(33)24-13-8-15(27(4)10-13)19(30)26-17-12-29(6)18(25-17)21(32)35-14-9-16(20(31)34-7)28(5)11-14/h8-12H,1-7H3,(H,24,33)(H,26,30)
InChIKeyUXAJXKUILAJRJY-UHFFFAOYSA-N
XLogP2.70
TPSA147.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The IUPAC name of (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate (CID 59799128) is (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate.
What is the SMILES notation for (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The canonical SMILES for (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate is COC(=O)c1cc(OC(=O)c2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C.
What is the InChIKey of (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
The InChIKey is UXAJXKUILAJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O7/c1-23(2,3)36-22(33)24-13-8-15(27(4)10-13)19(30)26-17-12-29(6)18(25-17)21(32)35-14-9-16(20(31)34-7)28(5)11-14/h8-12H,1-7H3,(H,24,33)(H,26,30).
What are the key properties of (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate?
(5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate has a molecular weight of 500.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonyl-1-methylpyrrol-3-yl) 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate is sourced from PubChem (CID 59799128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.