4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine

C23H23FN4O — CID 123141685

IUPAC4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine
SMILESC=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1
InChIInChI=1S/C23H23FN4O/c1-16(27-8-10-29-11-9-27)6-7-28-23-5-2-17(12-18(23)14-26-28)21-15-25-22-13-19(24)3-4-20(21)22/h2-5,12-15,25H,1,6-11H2
InChIKeyXTXSDPIOVDFOPM-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.56
Rot. Bonds5

About 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine

4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine (PubChem CID 123141685) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine
PubChem CID123141685
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine
SMILESC=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1
InChIInChI=1S/C23H23FN4O/c1-16(27-8-10-29-11-9-27)6-7-28-23-5-2-17(12-18(23)14-26-28)21-15-25-22-13-19(24)3-4-20(21)22/h2-5,12-15,25H,1,6-11H2
InChIKeyXTXSDPIOVDFOPM-UHFFFAOYSA-N
XLogP4.56
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carbonitrile
CID 135487516
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-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
CID 164625965
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine?
The IUPAC name of 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine (CID 123141685) is 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine is C=C(CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21)N1CCOCC1.
What is the InChIKey of 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine?
The InChIKey is XTXSDPIOVDFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16(27-8-10-29-11-9-27)6-7-28-23-5-2-17(12-18(23)14-26-28)21-15-25-22-13-19(24)3-4-20(21)22/h2-5,12-15,25H,1,6-11H2.
What are the key properties of 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine?
4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine has a molecular weight of 390.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]but-1-en-2-yl]morpholine is sourced from PubChem (CID 123141685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).