4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide

C32H46N10O5 — CID 58089886

IUPAC4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)CCCNC(=O)C4CCCC4)cn3C)cn2C)cn1C
InChIInChI=1S/C32H46N10O5/c1-39(2)15-9-14-34-30(45)24-17-23(19-40(24)3)36-32(47)28-37-26(20-42(28)5)38-31(46)25-16-22(18-41(25)4)35-27(43)12-8-13-33-29(44)21-10-6-7-11-21/h16-21H,6-15H2,1-5H3,(H,33,44)(H,34,45)(H,35,43)(H,36,47)(H,38,46)
InChIKeyLZLUEVPSNYTHGI-UHFFFAOYSA-N
MW650.79 g/mol
LogP2.31
Rot. Bonds15

About 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide

4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide (PubChem CID 58089886) has the molecular formula C32H46N10O5 and a molecular weight of 650.79 g/mol. Its IUPAC name is 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
PubChem CID58089886
Molecular FormulaC32H46N10O5
Molecular Weight650.79 g/mol
Exact Mass650.37
IUPAC Name4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)CCCNC(=O)C4CCCC4)cn3C)cn2C)cn1C
InChIInChI=1S/C32H46N10O5/c1-39(2)15-9-14-34-30(45)24-17-23(19-40(24)3)36-32(47)28-37-26(20-42(28)5)38-31(46)25-16-22(18-41(25)4)35-27(43)12-8-13-33-29(44)21-10-6-7-11-21/h16-21H,6-15H2,1-5H3,(H,33,44)(H,34,45)(H,35,43)(H,36,47)(H,38,46)
InChIKeyLZLUEVPSNYTHGI-UHFFFAOYSA-N
XLogP2.31
TPSA176.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.79
LogP ≤ 52.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide with MolForge

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Related Compounds

4-[2-[4-[2-[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide;N-[2-(cyclopentanecarbonylamino)ethyl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 123372641
N-[2-[[4-[[5-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 177425627
N-[2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]butanoylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 136861612
N-[2-[[5-[[4-[[2-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]-3-methylpyridine-2-carboxamide
CID 11707813
CID 11434786
CID 11434786
N-[4-[[3-[[3-[[2-[[5-[[5-[[3-[[2-[[5-[[4-[[2-[[5-[[3-[[2-[[2-[[2-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]amino]-3-oxopropyl]carbamoyl]phenyl]-N'-hydroxyoctanediamide
CID 46196426
3-[[4-[[4-[[4-[[4-[4-[[4-[[4-[[4-[(4-acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoic acid
CID 149390856
N-[3-[2-[[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-1-yl]propyl]-N'-[2-[2-[2-[2-[[4-[3-[2-[[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-1-yl]propylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]butanediamide
CID 177416721
4-(3-aminopropanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 14106661
N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[5-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]thiophene-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide
CID 101224212
methyl 4-[[4-[[4-[4-[[4-[[4-[(4-acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 101211540
3-[3-[[4-[[4-[[4-[3-[[4-[[4-[[4-[4-[[4-[[4-[[4-[4-(dimethylazaniumyl)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]propyl-dimethylazanium
CID 23553567

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide (CID 58089886) is 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide is CN(C)CCCNC(=O)c1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)CCCNC(=O)C4CCCC4)cn3C)cn2C)cn1C.
What is the InChIKey of 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is LZLUEVPSNYTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N10O5/c1-39(2)15-9-14-34-30(45)24-17-23(19-40(24)3)36-32(47)28-37-26(20-42(28)5)38-31(46)25-16-22(18-41(25)4)35-27(43)12-8-13-33-29(44)21-10-6-7-11-21/h16-21H,6-15H2,1-5H3,(H,33,44)(H,34,45)(H,35,43)(H,36,47)(H,38,46).
What are the key properties of 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide?
4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 650.79 g/mol, XLogP of 2.31, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(cyclopentanecarbonylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 58089886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).