N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide

C52H71Br3N24O3 — CID 157256857

IUPACN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc[nH]3)nn2)[nH]1
InChIInChI=1S/C18H24Br2N8O.C17H23BrN8O.C17H24N8O/c1-27-15(9-14(19)16(27)20)17(29)22-7-8-28-11-13(25-26-28)6-4-2-3-5-12-10-23-18(21)24-12;18-12-8-15(21-9-12)16(27)20-6-7-26-11-14(24-25-26)5-3-1-2-4-13-10-22-17(19)23-13;18-17-21-11-13(22-17)5-2-1-3-6-14-12-25(24-23-14)10-9-20-16(26)15-7-4-8-19-15/h9-11H,2-8H2,1H3,(H,22,29)(H3,21,23,24);8-11,21H,1-7H2,(H,20,27)(H3,19,22,23);4,7-8,11-12,19H,1-3,5-6,9-10H2,(H,20,26)(H3,18,21,22)
InChIKeyAWZJLGMWCFEOJN-UHFFFAOYSA-N
MW1320.02 g/mol
LogP6.19
Rot. Bonds30

About N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 157256857) has the molecular formula C52H71Br3N24O3 and a molecular weight of 1320.02 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID157256857
Molecular FormulaC52H71Br3N24O3
Molecular Weight1320.02 g/mol
Exact Mass1316.37
IUPAC NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc[nH]3)nn2)[nH]1
InChIInChI=1S/C18H24Br2N8O.C17H23BrN8O.C17H24N8O/c1-27-15(9-14(19)16(27)20)17(29)22-7-8-28-11-13(25-26-28)6-4-2-3-5-12-10-23-18(21)24-12;18-12-8-15(21-9-12)16(27)20-6-7-26-11-14(24-25-26)5-3-1-2-4-13-10-22-17(19)23-13;18-17-21-11-13(22-17)5-2-1-3-6-14-12-25(24-23-14)10-9-20-16(26)15-7-4-8-19-15/h9-11H,2-8H2,1H3,(H,22,29)(H3,21,23,24);8-11,21H,1-7H2,(H,20,27)(H3,19,22,23);4,7-8,11-12,19H,1-3,5-6,9-10H2,(H,20,26)(H3,18,21,22)
InChIKeyAWZJLGMWCFEOJN-UHFFFAOYSA-N
XLogP6.19
TPSA380.04 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001320.02
LogP ≤ 56.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 157256857) is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide is Cn1c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc(Br)c1Br.Nc1ncc(CCCCCc2cn(CCNC(=O)c3cc(Br)c[nH]3)nn2)[nH]1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc[nH]3)nn2)[nH]1.
What is the InChIKey of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AWZJLGMWCFEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2N8O.C17H23BrN8O.C17H24N8O/c1-27-15(9-14(19)16(27)20)17(29)22-7-8-28-11-13(25-26-28)6-4-2-3-5-12-10-23-18(21)24-12;18-12-8-15(21-9-12)16(27)20-6-7-26-11-14(24-25-26)5-3-1-2-4-13-10-22-17(19)23-13;18-17-21-11-13(22-17)5-2-1-3-6-14-12-25(24-23-14)10-9-20-16(26)15-7-4-8-19-15/h9-11H,2-8H2,1H3,(H,22,29)(H3,21,23,24);8-11,21H,1-7H2,(H,20,27)(H3,19,22,23);4,7-8,11-12,19H,1-3,5-6,9-10H2,(H,20,26)(H3,18,21,22).
What are the key properties of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 1320.02 g/mol, XLogP of 6.19, 30 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-bromo-1H-pyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 157256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).