6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

C20H20Br2N6O2 — CID 118173086

IUPAC6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(Br)n4)c(Br)cc3n2)CC1
InChIInChI=1S/C20H20Br2N6O2/c1-26-5-7-27(8-6-26)19(29)12-28-11-13-9-17(14(21)10-16(13)25-28)24-20(30)15-3-2-4-18(22)23-15/h2-4,9-11H,5-8,12H2,1H3,(H,24,30)
InChIKeyCAFMLPWANVIDEG-UHFFFAOYSA-N
MW536.23 g/mol
LogP2.98
Rot. Bonds4

About 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173086) has the molecular formula C20H20Br2N6O2 and a molecular weight of 536.23 g/mol. Its IUPAC name is 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173086
Molecular FormulaC20H20Br2N6O2
Molecular Weight536.23 g/mol
Exact Mass534.00
IUPAC Name6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(Br)n4)c(Br)cc3n2)CC1
InChIInChI=1S/C20H20Br2N6O2/c1-26-5-7-27(8-6-26)19(29)12-28-11-13-9-17(14(21)10-16(13)25-28)24-20(30)15-3-2-4-18(22)23-15/h2-4,9-11H,5-8,12H2,1H3,(H,24,30)
InChIKeyCAFMLPWANVIDEG-UHFFFAOYSA-N
XLogP2.98
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118182655
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
2-(5-amino-6-chloroindazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 118182494
6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
CID 134422827
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118173008
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 118172979
N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 144865206
N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
CID 144865168

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173086) is 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(Br)n4)c(Br)cc3n2)CC1.
What is the InChIKey of 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is CAFMLPWANVIDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2N6O2/c1-26-5-7-27(8-6-26)19(29)12-28-11-13-9-17(14(21)10-16(13)25-28)24-20(30)15-3-2-4-18(22)23-15/h2-4,9-11H,5-8,12H2,1H3,(H,24,30).
What are the key properties of 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 536.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).