2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol

C16H17BrN4O2 — CID 164566265

IUPAC2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1cc(-n2ncc3c(Br)cccc32)ncc1CNCCO
InChIInChI=1S/C16H17BrN4O2/c1-23-15-7-16(19-9-11(15)8-18-5-6-22)21-14-4-2-3-13(17)12(14)10-20-21/h2-4,7,9-10,18,22H,5-6,8H2,1H3
InChIKeyNRJYUBCFZDJRJS-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.27
Rot. Bonds6

About 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 164566265) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol
PubChem CID164566265
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC Name2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1cc(-n2ncc3c(Br)cccc32)ncc1CNCCO
InChIInChI=1S/C16H17BrN4O2/c1-23-15-7-16(19-9-11(15)8-18-5-6-22)21-14-4-2-3-13(17)12(14)10-20-21/h2-4,7,9-10,18,22H,5-6,8H2,1H3
InChIKeyNRJYUBCFZDJRJS-UHFFFAOYSA-N
XLogP2.27
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
CID 153331814
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[[6-[2-chloro-3-[1-[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
CID 164566332
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
CID 134524092
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 17054461
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
2-[[4-[2-chloro-3-[1-[[2-chloro-5-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indazol-4-yl]phenyl]-2-methoxyphenyl]methylamino]ethanol
CID 167200438

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol (CID 164566265) is 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol is COc1cc(-n2ncc3c(Br)cccc32)ncc1CNCCO.
What is the InChIKey of 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol?
The InChIKey is NRJYUBCFZDJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-23-15-7-16(19-9-11(15)8-18-5-6-22)21-14-4-2-3-13(17)12(14)10-20-21/h2-4,7,9-10,18,22H,5-6,8H2,1H3.
What are the key properties of 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol?
2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 377.24 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 164566265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).