1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone

C29H31N5O3 — CID 58060410

IUPAC1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
SMILESCC(=O)n1cc(CCOc2cc(N3CCOCC3)cc(C/N=C/c3cccc(C)c3)n2)c2cnccc21
InChIInChI=1S/C29H31N5O3/c1-21-4-3-5-23(14-21)17-31-18-25-15-26(33-9-12-36-13-10-33)16-29(32-25)37-11-7-24-20-34(22(2)35)28-6-8-30-19-27(24)28/h3-6,8,14-17,19-20H,7,9-13,18H2,1-2H3/b31-17+
InChIKeyRUDGSIXUCVPJDR-KBVAKVRCSA-N
MW497.60 g/mol
LogP4.48
Rot. Bonds8

About 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone

1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone (PubChem CID 58060410) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
PubChem CID58060410
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
SMILESCC(=O)n1cc(CCOc2cc(N3CCOCC3)cc(C/N=C/c3cccc(C)c3)n2)c2cnccc21
InChIInChI=1S/C29H31N5O3/c1-21-4-3-5-23(14-21)17-31-18-25-15-26(33-9-12-36-13-10-33)16-29(32-25)37-11-7-24-20-34(22(2)35)28-6-8-30-19-27(24)28/h3-6,8,14-17,19-20H,7,9-13,18H2,1-2H3/b31-17+
InChIKeyRUDGSIXUCVPJDR-KBVAKVRCSA-N
XLogP4.48
TPSA81.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone with MolForge

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Related Compounds

N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060561
1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
CID 58060439
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
CID 58060217
2-methyl-1-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-3-propylguanidine
CID 58060487
N-methyl-3-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyliminomethyl]aniline
CID 58060175
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
CID 59673873
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone (CID 58060410) is 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone is CC(=O)n1cc(CCOc2cc(N3CCOCC3)cc(C/N=C/c3cccc(C)c3)n2)c2cnccc21.
What is the InChIKey of 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone?
The InChIKey is RUDGSIXUCVPJDR-KBVAKVRCSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-21-4-3-5-23(14-21)17-31-18-25-15-26(33-9-12-36-13-10-33)16-29(32-25)37-11-7-24-20-34(22(2)35)28-6-8-30-19-27(24)28/h3-6,8,14-17,19-20H,7,9-13,18H2,1-2H3/b31-17+.
What are the key properties of 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone?
1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone has a molecular weight of 497.60 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone is sourced from PubChem (CID 58060410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).