methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate

C24H25F2N3O4 — CID 154965364

IUPACmethyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate
SMILESCNC(=O)c1cc(F)c(-c2[nH]c3cc(C)ccc3c2CC2CN(C(=O)OC)CCO2)c(F)c1
InChIInChI=1S/C24H25F2N3O4/c1-13-4-5-16-17(11-15-12-29(6-7-33-15)24(31)32-3)22(28-20(16)8-13)21-18(25)9-14(10-19(21)26)23(30)27-2/h4-5,8-10,15,28H,6-7,11-12H2,1-3H3,(H,27,30)
InChIKeyNIWBDGQHOHZCPS-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.79
Rot. Bonds4

About methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate

methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 154965364) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate
PubChem CID154965364
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Namemethyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate
SMILESCNC(=O)c1cc(F)c(-c2[nH]c3cc(C)ccc3c2CC2CN(C(=O)OC)CCO2)c(F)c1
InChIInChI=1S/C24H25F2N3O4/c1-13-4-5-16-17(11-15-12-29(6-7-33-15)24(31)32-3)22(28-20(16)8-13)21-18(25)9-14(10-19(21)26)23(30)27-2/h4-5,8-10,15,28H,6-7,11-12H2,1-3H3,(H,27,30)
InChIKeyNIWBDGQHOHZCPS-UHFFFAOYSA-N
XLogP3.79
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 156827721
tert-butyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-5-methylindol-1-yl]methyl]morpholine-4-carboxylate
CID 156827778
methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-5-methylimidazo[4,5-b]pyridin-1-yl]methyl]morpholine-4-carboxylate
CID 162729034
(2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methylfuro[2,3-b]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769617
methyl (2S)-2-[2-(bromomethyl)-3-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-3-oxopropyl]morpholine-4-carboxylate
CID 170960852
methyl (2S)-2-[[2-(4-carbamoyl-2,6-difluorophenyl)-5-methylbenzimidazol-1-yl]methyl]morpholine-4-carboxylate
CID 163637708
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
methyl 2-[[7-(fluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827753
methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965154
methyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
methyl (2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354661

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate (CID 154965364) is methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate is CNC(=O)c1cc(F)c(-c2[nH]c3cc(C)ccc3c2CC2CN(C(=O)OC)CCO2)c(F)c1.
What is the InChIKey of methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is NIWBDGQHOHZCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-13-4-5-16-17(11-15-12-29(6-7-33-15)24(31)32-3)22(28-20(16)8-13)21-18(25)9-14(10-19(21)26)23(30)27-2/h4-5,8-10,15,28H,6-7,11-12H2,1-3H3,(H,27,30).
What are the key properties of methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate?
methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 457.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-6-methyl-1H-indol-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 154965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).