4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane

C39H39Br2I2N11O — CID 161101872

IUPAC4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
SMILESBrc1ccnc2[nH]c(I)cc12.C.CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.Cn1c(I)cc2c(Br)ccnc21
InChIInChI=1S/C23H25N7O.C8H6BrIN2.C7H4BrIN2.CH4/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18;1-12-7(10)4-5-6(9)2-3-11-8(5)12;8-5-1-2-10-7-4(5)3-6(9)11-7;/h6-9,12,15H,4-5,10-11,13H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4
InChIKeyUINQPOHXAJIUES-UHFFFAOYSA-N
MW1091.43 g/mol
LogP9.58
Rot. Bonds3

About 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane

4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane (PubChem CID 161101872) has the molecular formula C39H39Br2I2N11O and a molecular weight of 1091.43 g/mol. Its IUPAC name is 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane.

Molecular Properties

Compound Name4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
PubChem CID161101872
Molecular FormulaC39H39Br2I2N11O
Molecular Weight1091.43 g/mol
Exact Mass1088.98
IUPAC Name4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
SMILESBrc1ccnc2[nH]c(I)cc12.C.CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.Cn1c(I)cc2c(Br)ccnc21
InChIInChI=1S/C23H25N7O.C8H6BrIN2.C7H4BrIN2.CH4/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18;1-12-7(10)4-5-6(9)2-3-11-8(5)12;8-5-1-2-10-7-4(5)3-6(9)11-7;/h6-9,12,15H,4-5,10-11,13H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4
InChIKeyUINQPOHXAJIUES-UHFFFAOYSA-N
XLogP9.58
TPSA120.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.43
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane with MolForge

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Related Compounds

US10730877, Example 773
CID 138686644
US10730877, Example 785
CID 138687003
US10730877, Example 772
CID 138687013
US10730877, Example 767
CID 138722015
US10730877, Example 784
CID 138725447
US10730877, Example 776
CID 138725606
7-Bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157562004
7-Bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethylpyrazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
CID 157854405
7-Bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;1-[3-[7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 158845819
7-Bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
CID 159146910
6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-[6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 161151974
(2S)-1-prop-2-enoyl-N-[2-[4-pyrazolo[1,5-b]pyridazin-3-yl-5-[1-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethylamino]ethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 138500180

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The IUPAC name of 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane (CID 161101872) is 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane.
What is the SMILES notation for 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The canonical SMILES for 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane is Brc1ccnc2[nH]c(I)cc12.C.CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.Cn1c(I)cc2c(Br)ccnc21.
What is the InChIKey of 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The InChIKey is UINQPOHXAJIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C8H6BrIN2.C7H4BrIN2.CH4/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18;1-12-7(10)4-5-6(9)2-3-11-8(5)12;8-5-1-2-10-7-4(5)3-6(9)11-7;/h6-9,12,15H,4-5,10-11,13H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4.
What are the key properties of 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane has a molecular weight of 1091.43 g/mol, XLogP of 9.58, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodo-1-methylpyrrolo[2,3-b]pyridine;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane is sourced from PubChem (CID 161101872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).