N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

C22H20Br4N10O2 — CID 11491208

IUPACN-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNc1ncc(/C(=C/CNC(=O)c2cc(Br)c(Br)[nH]2)c2nc(N)[nH]c2/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
InChIInChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3-
InChIKeyHVSCSPHJFJDZCZ-BARZBYPCSA-N
MW776.09 g/mol
LogP4.31
Rot. Bonds9

About N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (PubChem CID 11491208) has the molecular formula C22H20Br4N10O2 and a molecular weight of 776.09 g/mol. Its IUPAC name is N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
PubChem CID11491208
Molecular FormulaC22H20Br4N10O2
Molecular Weight776.09 g/mol
Exact Mass771.85
IUPAC NameN-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNc1ncc(/C(=C/CNC(=O)c2cc(Br)c(Br)[nH]2)c2nc(N)[nH]c2/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
InChIInChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3-
InChIKeyHVSCSPHJFJDZCZ-BARZBYPCSA-N
XLogP4.31
TPSA199.18 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.09
LogP ≤ 54.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Analyze N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (CID 11491208) is N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is Nc1ncc(/C(=C/CNC(=O)c2cc(Br)c(Br)[nH]2)c2nc(N)[nH]c2/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1.
What is the InChIKey of N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The InChIKey is HVSCSPHJFJDZCZ-BARZBYPCSA-N. The full InChI is InChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3-.
What are the key properties of N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide has a molecular weight of 776.09 g/mol, XLogP of 4.31, 9 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[2-amino-4-[(Z)-1-(2-amino-1H-imidazol-5-yl)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11491208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).