[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

C34H35F2N3O5 — CID 71733114

IUPAC[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCOC(Cc3ccc(F)cc3)C1)c(C)n2C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C34H35F2N3O5/c1-22-32(33(40)37-13-15-43-28(20-37)17-23-3-7-25(35)8-4-23)30-19-27(42-2)11-12-31(30)39(22)34(41)38-14-16-44-29(21-38)18-24-5-9-26(36)10-6-24/h3-12,19,28-29H,13-18,20-21H2,1-2H3
InChIKeyORGZCGRSEILITG-UHFFFAOYSA-N
MW603.67 g/mol
LogP5.23
Rot. Bonds6

About [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (PubChem CID 71733114) has the molecular formula C34H35F2N3O5 and a molecular weight of 603.67 g/mol. Its IUPAC name is [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
PubChem CID71733114
Molecular FormulaC34H35F2N3O5
Molecular Weight603.67 g/mol
Exact Mass603.25
IUPAC Name[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCOC(Cc3ccc(F)cc3)C1)c(C)n2C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C34H35F2N3O5/c1-22-32(33(40)37-13-15-43-28(20-37)17-23-3-7-25(35)8-4-23)30-19-27(42-2)11-12-31(30)39(22)34(41)38-14-16-44-29(21-38)18-24-5-9-26(36)10-6-24/h3-12,19,28-29H,13-18,20-21H2,1-2H3
InChIKeyORGZCGRSEILITG-UHFFFAOYSA-N
XLogP5.23
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.67
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42382131
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (CID 71733114) is [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is COc1ccc2c(c1)c(C(=O)N1CCOC(Cc3ccc(F)cc3)C1)c(C)n2C(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is ORGZCGRSEILITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N3O5/c1-22-32(33(40)37-13-15-43-28(20-37)17-23-3-7-25(35)8-4-23)30-19-27(42-2)11-12-31(30)39(22)34(41)38-14-16-44-29(21-38)18-24-5-9-26(36)10-6-24/h3-12,19,28-29H,13-18,20-21H2,1-2H3.
What are the key properties of [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 603.67 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71733114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).