[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium

C18H12Br4N5O3Y- — CID 145498281

IUPAC[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium
SMILESCO[N-]NC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Br.[Y]
InChIInChI=1S/C18H12Br4N5O3.Y/c1-30-26-25-17(28)11-5-9(19)6-13(22)15(11)24-18(29)14-7-10(20)8-27(14)16-12(21)3-2-4-23-16;/h2-8H,1H3,(H2,24,25,28,29);/q-1;
InChIKeyRYQFTTWGCKEGAU-UHFFFAOYSA-N
MW754.85 g/mol
LogP5.75
Rot. Bonds6

About [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium

[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium (PubChem CID 145498281) has the molecular formula C18H12Br4N5O3Y- and a molecular weight of 754.85 g/mol. Its IUPAC name is [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium.

Molecular Properties

Compound Name[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium
PubChem CID145498281
Molecular FormulaC18H12Br4N5O3Y-
Molecular Weight754.85 g/mol
Exact Mass750.67
IUPAC Name[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium
SMILESCO[N-]NC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Br.[Y]
InChIInChI=1S/C18H12Br4N5O3.Y/c1-30-26-25-17(28)11-5-9(19)6-13(22)15(11)24-18(29)14-7-10(20)8-27(14)16-12(21)3-2-4-23-16;/h2-8H,1H3,(H2,24,25,28,29);/q-1;
InChIKeyRYQFTTWGCKEGAU-UHFFFAOYSA-N
XLogP5.75
TPSA99.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[3,5-dibromo-2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286947
4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 145498284
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 145498245
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfanylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286872
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfonylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286907
4-bromo-5-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(hydrazinecarbonyl)phenyl]pyrrole-2-carboxamide
CID 66854373
[[2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-5-cyano-3-methylbenzoyl]amino]azanide;yttrium
CID 145498240
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(prop-2-ynoxyamino)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 145498305
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[[carbamoyl(methyl)amino]carbamoyl]phenyl]pyrazole-5-carboxamide
CID 158584707
methyl N-[[3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]benzoyl]-ethylamino]carbamate
CID 46865100

Frequently Asked Questions

What is the IUPAC name of [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium?
The IUPAC name of [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium (CID 145498281) is [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium.
What is the SMILES notation for [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium?
The canonical SMILES for [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium is CO[N-]NC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Br.[Y].
What is the InChIKey of [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium?
The InChIKey is RYQFTTWGCKEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br4N5O3.Y/c1-30-26-25-17(28)11-5-9(19)6-13(22)15(11)24-18(29)14-7-10(20)8-27(14)16-12(21)3-2-4-23-16;/h2-8H,1H3,(H2,24,25,28,29);/q-1;.
What are the key properties of [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium?
[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium has a molecular weight of 754.85 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium is sourced from PubChem (CID 145498281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).