3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one

C22H21FN4O2 — CID 118382798

IUPAC3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1
InChIInChI=1S/C22H21FN4O2/c23-17-2-3-18-19(14-24-20(18)12-17)15-1-4-21-16(11-15)13-25-27(21)6-5-22(28)26-7-9-29-10-8-26/h1-4,11-14,24H,5-10H2
InChIKeyZGXODGNHYOYHLS-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.57
Rot. Bonds4

About 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 118382798) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID118382798
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1
InChIInChI=1S/C22H21FN4O2/c23-17-2-3-18-19(14-24-20(18)12-17)15-1-4-21-16(11-15)13-25-27(21)6-5-22(28)26-7-9-29-10-8-26/h1-4,11-14,24H,5-10H2
InChIKeyZGXODGNHYOYHLS-UHFFFAOYSA-N
XLogP3.57
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
1-[1-(1H-indol-3-yl)-6-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 46906358
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
1-(1-(3-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 10120530

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 118382798) is 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1.
What is the InChIKey of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZGXODGNHYOYHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-2-3-18-19(14-24-20(18)12-17)15-1-4-21-16(11-15)13-25-27(21)6-5-22(28)26-7-9-29-10-8-26/h1-4,11-14,24H,5-10H2.
What are the key properties of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 392.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 118382798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).