1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one

C20H18BrN3O2 — CID 161484621

IUPAC1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one
SMILESO=C1C=C(N2CCOCC2)CC2=C1CC=C2c1ccc2cn[nH]c2c1Br
InChIInChI=1S/C20H18BrN3O2/c21-19-16(2-1-12-11-22-23-20(12)19)14-3-4-15-17(14)9-13(10-18(15)25)24-5-7-26-8-6-24/h1-3,10-11H,4-9H2,(H,22,23)
InChIKeyWEUVDXFOFSMOFK-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.60
Rot. Bonds2

About 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one

1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one (PubChem CID 161484621) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one.

Molecular Properties

Compound Name1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one
PubChem CID161484621
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one
SMILESO=C1C=C(N2CCOCC2)CC2=C1CC=C2c1ccc2cn[nH]c2c1Br
InChIInChI=1S/C20H18BrN3O2/c21-19-16(2-1-12-11-22-23-20(12)19)14-3-4-15-17(14)9-13(10-18(15)25)24-5-7-26-8-6-24/h1-3,10-11H,4-9H2,(H,22,23)
InChIKeyWEUVDXFOFSMOFK-UHFFFAOYSA-N
XLogP3.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-pyridinyl)-6-morpholin-4-yl-3,7-dihydroinden-4-one
CID 153146338
4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine
CID 155413165
7,8-dihydro-1H-furo[2,3-g]indazole
CID 21196798
4,5-dimorpholin-4-yl-1H-pyridazin-6-one
CID 161394911
4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520868
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
2-[(3R)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324949
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
4-(1H-pyrazol-5-yl)-1,4-oxazepane
CID 126655328
4-morpholin-4-yl-5-propoxy-1H-pyridazin-6-one
CID 131856588
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50962400
4-(1H-indazol-5-yl)-6-(4-morpholin-4-ylphenyl)-1H-pyrimidin-2-one
CID 24759584

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one?
The IUPAC name of 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one (CID 161484621) is 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one.
What is the SMILES notation for 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one?
The canonical SMILES for 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one is O=C1C=C(N2CCOCC2)CC2=C1CC=C2c1ccc2cn[nH]c2c1Br.
What is the InChIKey of 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one?
The InChIKey is WEUVDXFOFSMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-19-16(2-1-12-11-22-23-20(12)19)14-3-4-15-17(14)9-13(10-18(15)25)24-5-7-26-8-6-24/h1-3,10-11H,4-9H2,(H,22,23).
What are the key properties of 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one?
1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one has a molecular weight of 412.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1H-indazol-6-yl)-6-morpholin-4-yl-3,7-dihydroinden-4-one is sourced from PubChem (CID 161484621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).