2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C24H25N5O4 — CID 20784507

IUPAC2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc2[nH]c(-c3cn(CC(=O)N4CCOCC4)c4ccc(OC)cc34)cc12
InChIInChI=1S/C24H25N5O4/c1-25-24(31)16-5-6-26-23-18(16)12-20(27-23)19-13-29(14-22(30)28-7-9-33-10-8-28)21-4-3-15(32-2)11-17(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyJHCXFCOSDGRMNK-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.41
Rot. Bonds5

About 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 20784507) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID20784507
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccnc2[nH]c(-c3cn(CC(=O)N4CCOCC4)c4ccc(OC)cc34)cc12
InChIInChI=1S/C24H25N5O4/c1-25-24(31)16-5-6-26-23-18(16)12-20(27-23)19-13-29(14-22(30)28-7-9-33-10-8-28)21-4-3-15(32-2)11-17(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyJHCXFCOSDGRMNK-UHFFFAOYSA-N
XLogP2.41
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Atevirdine
CID 60848
Atevirdine Mesylate
CID 60847
N~1~-(4-Fluorophenyl)-N'~1~-(4-((2-((2-(morpholin-4-yl)ethyl)carbamoyl)-1H-pyrrolo(2,3-b)pyridin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide
CID 24956525
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide
CID 25182616
2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide
CID 25211575
2-fluoro-6-{[2-({5-methoxy-1-[2-(pyrrolidin-1-yl)acetyl]-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218580
2-{[2-({1-[2-(azetidin-1-yl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218581
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
CID 24776346
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 24776347

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 20784507) is 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is CNC(=O)c1ccnc2[nH]c(-c3cn(CC(=O)N4CCOCC4)c4ccc(OC)cc34)cc12.
What is the InChIKey of 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is JHCXFCOSDGRMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-25-24(31)16-5-6-26-23-18(16)12-20(27-23)19-13-29(14-22(30)28-7-9-33-10-8-28)21-4-3-15(32-2)11-17(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 20784507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).