N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide

C30H38N4O4 — CID 177244839

IUPACN-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
SMILESCOCCN(C)C(=O)c1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1
InChIInChI=1S/C30H38N4O4/c1-32(14-17-37-2)29(35)25-11-9-24(10-12-25)23-7-5-22(6-8-23)20-34-21-26(28-27(34)4-3-13-31-28)30(36)33-15-18-38-19-16-33/h3-4,9-13,21-23H,5-8,14-20H2,1-2H3
InChIKeyDJWUKXHWHCPUPX-UHFFFAOYSA-N
MW518.66 g/mol
LogP4.20
Rot. Bonds8

About N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide

N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide (PubChem CID 177244839) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
PubChem CID177244839
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
SMILESCOCCN(C)C(=O)c1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1
InChIInChI=1S/C30H38N4O4/c1-32(14-17-37-2)29(35)25-11-9-24(10-12-25)23-7-5-22(6-8-23)20-34-21-26(28-27(34)4-3-13-31-28)30(36)33-15-18-38-19-16-33/h3-4,9-13,21-23H,5-8,14-20H2,1-2H3
InChIKeyDJWUKXHWHCPUPX-UHFFFAOYSA-N
XLogP4.20
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244937
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-piperidin-1-ylmethanone
CID 177244912
morpholin-4-yl-[1-[(4-phenylcyclohex-3-en-1-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244714
[1-(2-adamantylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244796
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
CID 177244994
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
morpholin-4-yl-[1-[[4-(3-nitrophenyl)cyclohex-3-en-1-yl]methyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244715
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate
CID 118561959

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide (CID 177244839) is N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide is COCCN(C)C(=O)c1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide?
The InChIKey is DJWUKXHWHCPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-32(14-17-37-2)29(35)25-11-9-24(10-12-25)23-7-5-22(6-8-23)20-34-21-26(28-27(34)4-3-13-31-28)30(36)33-15-18-38-19-16-33/h3-4,9-13,21-23H,5-8,14-20H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide?
N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide has a molecular weight of 518.66 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 177244839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).