[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone

C27H33N3O3 — CID 177244937

IUPAC[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCOCc1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1
InChIInChI=1S/C27H33N3O3/c1-32-19-21-6-10-23(11-7-21)22-8-4-20(5-9-22)17-30-18-24(26-25(30)3-2-12-28-26)27(31)29-13-15-33-16-14-29/h2-3,6-7,10-12,18,20,22H,4-5,8-9,13-17,19H2,1H3
InChIKeySNJRXCXDKUVJLC-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.63
Rot. Bonds6

About [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone

[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 177244937) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID177244937
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCOCc1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1
InChIInChI=1S/C27H33N3O3/c1-32-19-21-6-10-23(11-7-21)22-8-4-20(5-9-22)17-30-18-24(26-25(30)3-2-12-28-26)27(31)29-13-15-33-16-14-29/h2-3,6-7,10-12,18,20,22H,4-5,8-9,13-17,19H2,1H3
InChIKeySNJRXCXDKUVJLC-UHFFFAOYSA-N
XLogP4.63
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-methyl-4-[4-[[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]cyclohexyl]benzamide
CID 177244839
[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
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
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
CID 177244994
morpholin-4-yl-[1-[3-(N-phenylanilino)propyl]pyrrolo[3,2-b]pyridin-3-yl]methanone
CID 177244772
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone (CID 177244937) is [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is COCc1ccc(C2CCC(Cn3cc(C(=O)N4CCOCC4)c4ncccc43)CC2)cc1.
What is the InChIKey of [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SNJRXCXDKUVJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-32-19-21-6-10-23(11-7-21)22-8-4-20(5-9-22)17-30-18-24(26-25(30)3-2-12-28-26)27(31)29-13-15-33-16-14-29/h2-3,6-7,10-12,18,20,22H,4-5,8-9,13-17,19H2,1H3.
What are the key properties of [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone?
[1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 447.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[4-(methoxymethyl)phenyl]cyclohexyl]methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177244937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).