1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C25H21ClF2N2O4 — CID 59657700

IUPAC1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cn(CC4(F)COC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C25H21ClF2N2O4/c26-15-1-3-17-19(11-30(21(17)9-15)12-24(28)13-33-14-24)22(31)29-7-5-25(6-8-29)20-4-2-16(27)10-18(20)23(32)34-25/h1-4,9-11H,5-8,12-14H2
InChIKeyZNUCDWHABAMUDF-UHFFFAOYSA-N
MW486.90 g/mol
LogP4.47
Rot. Bonds3

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

1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 59657700) has the molecular formula C25H21ClF2N2O4 and a molecular weight of 486.90 g/mol. Its IUPAC name is 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID59657700
Molecular FormulaC25H21ClF2N2O4
Molecular Weight486.90 g/mol
Exact Mass486.12
IUPAC Name1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cn(CC4(F)COC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21
InChIInChI=1S/C25H21ClF2N2O4/c26-15-1-3-17-19(11-30(21(17)9-15)12-24(28)13-33-14-24)22(31)29-7-5-25(6-8-29)20-4-2-16(27)10-18(20)23(32)34-25/h1-4,9-11H,5-8,12-14H2
InChIKeyZNUCDWHABAMUDF-UHFFFAOYSA-N
XLogP4.47
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(pyridin-4-ylmethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657693
1'-[6-chloro-1-(pyrimidin-5-ylmethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657653
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'-[6-chloro-1-[(1-methylimidazol-4-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 142693629
1'-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6-chloroindole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657673
2-[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetonitrile
CID 15953020
1'-[6-chloro-2-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 15952809
2-[[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]methyl]morpholine-4-carboxylic acid
CID 69016185
1'-[6-chloro-2-(piperidine-1-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 15952918
1'-[(E)-2-(4-chloro-2-methylphenyl)but-2-enoyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 143391041
[6-chloro-1-(2-pyridin-4-ylethyl)indol-3-yl]-[4-(4-fluoro-2-prop-1-en-2-ylphenyl)-4-methylpiperidin-1-yl]methanone
CID 70319943

Frequently Asked Questions

What is the IUPAC name of 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 59657700) is 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3cn(CC4(F)COC4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21.
What is the InChIKey of 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is ZNUCDWHABAMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O4/c26-15-1-3-17-19(11-30(21(17)9-15)12-24(28)13-33-14-24)22(31)29-7-5-25(6-8-29)20-4-2-16(27)10-18(20)23(32)34-25/h1-4,9-11H,5-8,12-14H2.
What are the key properties of 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 486.90 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 59657700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).