N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide

C21H30FN3O3 — CID 10111044

IUPACN-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cc(F)cc12
InChIInChI=1S/C21H30FN3O3/c1-5-14(2)23-21(26)19-15(3)25(7-6-24-8-10-28-11-9-24)20-17(19)12-16(22)13-18(20)27-4/h12-14H,5-11H2,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyVRLOEKGMYGEXSQ-CQSZACIVSA-N
MW391.49 g/mol
LogP2.96
Rot. Bonds7

About N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide

N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide (PubChem CID 10111044) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
PubChem CID10111044
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC NameN-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cc(F)cc12
InChIInChI=1S/C21H30FN3O3/c1-5-14(2)23-21(26)19-15(3)25(7-6-24-8-10-28-11-9-24)20-17(19)12-16(22)13-18(20)27-4/h12-14H,5-11H2,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyVRLOEKGMYGEXSQ-CQSZACIVSA-N
XLogP2.96
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196301
methyl (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 10297343
(2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 91381150
methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
CID 18765471
methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate
CID 20604575
methyl (4E,6Z,8Z)-2-[(5-fluoro-7-methoxy-1,2-dimethylindole-3-carbonyl)amino]deca-4,6,8-trienoate
CID 142080431
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 53149865
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196288
1-(4-fluorophenyl)-2,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)pyrrole-3-carboxamide
CID 86949670

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide (CID 10111044) is N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide is CC[C@@H](C)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cc(F)cc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide?
The InChIKey is VRLOEKGMYGEXSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-5-14(2)23-21(26)19-15(3)25(7-6-24-8-10-28-11-9-24)20-17(19)12-16(22)13-18(20)27-4/h12-14H,5-11H2,1-4H3,(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide?
N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 10111044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).