4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine

C20H23N3O2 — CID 74237359

IUPAC4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
SMILESCOc1ccc2[nH]c(CN3CCOC(c4cccnc4)C3)c(C)c2c1
InChIInChI=1S/C20H23N3O2/c1-14-17-10-16(24-2)5-6-18(17)22-19(14)12-23-8-9-25-20(13-23)15-4-3-7-21-11-15/h3-7,10-11,20,22H,8-9,12-13H2,1-2H3
InChIKeyJGZIAYJPVHLLOR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds4

About 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine

4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine (PubChem CID 74237359) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine.

Molecular Properties

Compound Name4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
PubChem CID74237359
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
SMILESCOc1ccc2[nH]c(CN3CCOC(c4cccnc4)C3)c(C)c2c1
InChIInChI=1S/C20H23N3O2/c1-14-17-10-16(24-2)5-6-18(17)22-19(14)12-23-8-9-25-20(13-23)15-4-3-7-21-11-15/h3-7,10-11,20,22H,8-9,12-13H2,1-2H3
InChIKeyJGZIAYJPVHLLOR-UHFFFAOYSA-N
XLogP3.45
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-1H-indol-2-yl)-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 91797517
(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 29085132
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
(2S)-4-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-(3-methoxyphenyl)morpholine
CID 124614775
(1S)-6-methoxy-2-propan-2-yl-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95802692
formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
CID 154909128
2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol
CID 99928163
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
(1S)-6-methoxy-2-propyl-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95802694
6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131930112

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine?
The IUPAC name of 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine (CID 74237359) is 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine.
What is the SMILES notation for 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine?
The canonical SMILES for 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine is COc1ccc2[nH]c(CN3CCOC(c4cccnc4)C3)c(C)c2c1.
What is the InChIKey of 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine?
The InChIKey is JGZIAYJPVHLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-17-10-16(24-2)5-6-18(17)22-19(14)12-23-8-9-25-20(13-23)15-4-3-7-21-11-15/h3-7,10-11,20,22H,8-9,12-13H2,1-2H3.
What are the key properties of 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine?
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine has a molecular weight of 337.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine is sourced from PubChem (CID 74237359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).