1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C26H23ClFN3O5 — CID 15952809

IUPAC1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3c(C(=O)N4CCOCC4)[nH]c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H23ClFN3O5/c27-15-1-3-17-20(13-15)29-22(24(33)31-9-11-35-12-10-31)21(17)23(32)30-7-5-26(6-8-30)19-4-2-16(28)14-18(19)25(34)36-26/h1-4,13-14,29H,5-12H2
InChIKeyZTGBUYBFHZLMFC-UHFFFAOYSA-N
MW511.94 g/mol
LogP3.73
Rot. Bonds2

About 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 15952809) has the molecular formula C26H23ClFN3O5 and a molecular weight of 511.94 g/mol. Its IUPAC name is 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID15952809
Molecular FormulaC26H23ClFN3O5
Molecular Weight511.94 g/mol
Exact Mass511.13
IUPAC Name1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3c(C(=O)N4CCOCC4)[nH]c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H23ClFN3O5/c27-15-1-3-17-20(13-15)29-22(24(33)31-9-11-35-12-10-31)21(17)23(32)30-7-5-26(6-8-30)19-4-2-16(28)14-18(19)25(34)36-26/h1-4,13-14,29H,5-12H2
InChIKeyZTGBUYBFHZLMFC-UHFFFAOYSA-N
XLogP3.73
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.94
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[6-chloro-2-(piperidine-1-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 15952918
1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657615
1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657700
1'-[6-chloro-1-(pyrimidin-5-ylmethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657653
1'-[6-chloro-1-(pyridin-4-ylmethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657693
1'-[6-chloro-1-[(1-methylimidazol-4-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 142693629
7-[6-chloro-2-(4-methylpiperazine-1-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91360777
prop-1-en-2-yl 2-[6-chloro-3-(5-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetate
CID 89379489
1'-[(E)-2-(4-chloro-2-methylphenyl)but-2-enoyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 143391041
1'-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6-chloroindole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657673
6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 67962414
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147

Frequently Asked Questions

What is the IUPAC name of 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 15952809) is 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3c(C(=O)N4CCOCC4)[nH]c4cc(Cl)ccc34)CC2)c2ccc(F)cc21.
What is the InChIKey of 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is ZTGBUYBFHZLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O5/c27-15-1-3-17-20(13-15)29-22(24(33)31-9-11-35-12-10-31)21(17)23(32)30-7-5-26(6-8-30)19-4-2-16(28)14-18(19)25(34)36-26/h1-4,13-14,29H,5-12H2.
What are the key properties of 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 511.94 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 15952809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).