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 — IUPAC name, SMILES, InChIKey & properties

Name: 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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 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

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 (PubChem CID 123372641) has the molecular formula C58H79N17O9 and a molecular weight of 1158.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	123372641
Molecular Formula	C58H79N17O9
Molecular Weight	1158.38 g/mol
Exact Mass	1157.62
IUPAC Name	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
SMILES	CN(C)CCCNC(=O)c1cc(CC(=O)c2nc(CC(=O)c3cc(NC(=O)CCCNC(=O)C4CCCC4)cn3C)cn2C)cn1C.Cn1cc(NC(=O)c2nccn2C)cc1C(=O)Nc1cn(C)c(C(=O)NCCNC(=O)C2CCCC2)n1
InChI	InChI=1S/C34H48N8O5.C24H31N9O4/c1-39(2)15-9-14-36-34(47)28-16-23(20-40(28)3)17-30(44)32-38-26(22-42(32)5)19-29(43)27-18-25(21-41(27)4)37-31(45)12-8-13-35-33(46)24-10-6-7-11-24;1-31-11-10-25-19(31)24(37)28-16-12-17(32(2)13-16)22(35)30-18-14-33(3)20(29-18)23(36)27-9-8-26-21(34)15-6-4-5-7-15/h16,18,20-22,24H,6-15,17,19H2,1-5H3,(H,35,46)(H,36,47)(H,37,45);10-15H,4-9H2,1-3H3,(H,26,34)(H,27,36)(H,28,37)(H,30,35)
InChIKey	OHLIXRRNUARLNF-UHFFFAOYSA-N
XLogP	3.69
TPSA	309.33 Å²
H-Bond Donors	7
H-Bond Acceptors	19
Rotatable Bonds	26
Heavy Atoms	84
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.38
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN(C)CCCNC(=O)c1cc(CC(=O)c2nc(CC(=O)c3cc(NC(=O)CCCNC(=O)C4CCCC4)cn3C)cn2C)cn1C.Cn1cc(NC(=O)c2nccn2C)cc1C(=O)Nc1cn(C)c(C(=O)NCCNC(=O)C2CCCC2)n1.

What is the InChIKey of 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?

The InChIKey is OHLIXRRNUARLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N8O5.C24H31N9O4/c1-39(2)15-9-14-36-34(47)28-16-23(20-40(28)3)17-30(44)32-38-26(22-42(32)5)19-29(43)27-18-25(21-41(27)4)37-31(45)12-8-13-35-33(46)24-10-6-7-11-24;1-31-11-10-25-19(31)24(37)28-16-12-17(32(2)13-16)22(35)30-18-14-33(3)20(29-18)23(36)27-9-8-26-21(34)15-6-4-5-7-15/h16,18,20-22,24H,6-15,17,19H2,1-5H3,(H,35,46)(H,36,47)(H,37,45);10-15H,4-9H2,1-3H3,(H,26,34)(H,27,36)(H,28,37)(H,30,35).

What are the key properties of 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?

Where does this data come from?

All data for 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 is sourced from PubChem (CID 123372641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).