1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone

C20H19BrN2O2 — CID 147647708

IUPAC1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2Cc2cc(Br)ccc2OCC2CC2)c1
InChIInChI=1S/C20H19BrN2O2/c1-13(24)15-4-6-19-16(8-15)10-22-23(19)11-17-9-18(21)5-7-20(17)25-12-14-2-3-14/h4-10,14H,2-3,11-12H2,1H3
InChIKeyGIWVSBMBDWYLBA-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.84
Rot. Bonds6

About 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone

1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone (PubChem CID 147647708) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
PubChem CID147647708
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2Cc2cc(Br)ccc2OCC2CC2)c1
InChIInChI=1S/C20H19BrN2O2/c1-13(24)15-4-6-19-16(8-15)10-22-23(19)11-17-9-18(21)5-7-20(17)25-12-14-2-3-14/h4-10,14H,2-3,11-12H2,1H3
InChIKeyGIWVSBMBDWYLBA-UHFFFAOYSA-N
XLogP4.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-bromo-2-[(1-methylcyclopropyl)methoxy]phenyl]methyl]indazol-5-yl]methanediol
CID 137397199
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690439
1-[1-[[5-bromo-2-(2-ethylbutoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-[1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]pyrazolo[3,4-b]pyridin-5-yl]ethanone;1-[1-[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methyl]indazol-5-yl]ethanone;1-[1-[[2-(2-methylpropoxy)-5-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 158435558
1-[[5-chloro-2-(cyclopentylmethoxy)phenyl]methyl]-5-methylpyrazole-4-carboxylic acid
CID 71610575
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone
CID 167957058
1-[1-[[5-(2-fluoro-2-phosphanylethoxy)-2-(2-methylpropoxy)phenyl]methyl]indazol-5-yl]-2-hydroxyethanone
CID 137397611
1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651120

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone?
The IUPAC name of 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone (CID 147647708) is 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone is CC(=O)c1ccc2c(cnn2Cc2cc(Br)ccc2OCC2CC2)c1.
What is the InChIKey of 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone?
The InChIKey is GIWVSBMBDWYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-13(24)15-4-6-19-16(8-15)10-22-23(19)11-17-9-18(21)5-7-20(17)25-12-14-2-3-14/h4-10,14H,2-3,11-12H2,1H3.
What are the key properties of 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone?
1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone has a molecular weight of 399.29 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone is sourced from PubChem (CID 147647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).