5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one

C26H24BrN7O — CID 91204575

IUPAC5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(/N=C/C5C(=O)Nc6ccc(Br)cc65)ccc34)cn2)CC1
InChIInChI=1S/C26H24BrN7O/c1-33-8-10-34(11-9-33)24-7-2-16(14-29-24)25-19-5-4-18(13-23(19)31-32-25)28-15-21-20-12-17(27)3-6-22(20)30-26(21)35/h2-7,12-15,21H,8-11H2,1H3,(H,30,35)(H,31,32)/b28-15+
InChIKeyYDKRWYHSOUQZGL-RWPZCVJISA-N
MW530.43 g/mol
LogP4.58
Rot. Bonds4

About 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one

5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91204575) has the molecular formula C26H24BrN7O and a molecular weight of 530.43 g/mol. Its IUPAC name is 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91204575
Molecular FormulaC26H24BrN7O
Molecular Weight530.43 g/mol
Exact Mass529.12
IUPAC Name5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(/N=C/C5C(=O)Nc6ccc(Br)cc65)ccc34)cn2)CC1
InChIInChI=1S/C26H24BrN7O/c1-33-8-10-34(11-9-33)24-7-2-16(14-29-24)25-19-5-4-18(13-23(19)31-32-25)28-15-21-20-12-17(27)3-6-22(20)30-26(21)35/h2-7,12-15,21H,8-11H2,1H3,(H,30,35)(H,31,32)/b28-15+
InChIKeyYDKRWYHSOUQZGL-RWPZCVJISA-N
XLogP4.58
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2,4-dihydro-1H-isoquinolin-3-one
CID 90710514
2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67954539
6-fluoro-3-[[3-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91469809
(2'S,3R)-2'-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67978705
6-bromo-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 22296498
5-acetyl-N-[4-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]thiophene-2-carboxamide
CID 90948884
(2'R,3S)-5-methoxy-2'-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486154
5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91223892
(3R,5S)-3,5-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 146448895
2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid
CID 67954538
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
N-[4-[[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 91176990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one (CID 91204575) is 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one is CN1CCN(c2ccc(-c3n[nH]c4cc(/N=C/C5C(=O)Nc6ccc(Br)cc65)ccc34)cn2)CC1.
What is the InChIKey of 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is YDKRWYHSOUQZGL-RWPZCVJISA-N. The full InChI is InChI=1S/C26H24BrN7O/c1-33-8-10-34(11-9-33)24-7-2-16(14-29-24)25-19-5-4-18(13-23(19)31-32-25)28-15-21-20-12-17(27)3-6-22(20)30-26(21)35/h2-7,12-15,21H,8-11H2,1H3,(H,30,35)(H,31,32)/b28-15+.
What are the key properties of 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one?
5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 530.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91204575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).