N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

C24H31FN4O3 — CID 58060636

IUPACN-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C24H31FN4O3/c1-19-3-2-4-20(15-19)17-26-18-21-16-22(29-8-12-31-13-9-29)23(25)24(27-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14,18H2,1H3/b26-17+
InChIKeyIMWWTCTYLHIOIU-YZSQISJMSA-N
MW442.54 g/mol
LogP2.70
Rot. Bonds8

About N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (PubChem CID 58060636) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
PubChem CID58060636
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC NameN-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C24H31FN4O3/c1-19-3-2-4-20(15-19)17-26-18-21-16-22(29-8-12-31-13-9-29)23(25)24(27-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14,18H2,1H3/b26-17+
InChIKeyIMWWTCTYLHIOIU-YZSQISJMSA-N
XLogP2.70
TPSA59.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (CID 58060636) is N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/Cc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1.
What is the InChIKey of N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The InChIKey is IMWWTCTYLHIOIU-YZSQISJMSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-19-3-2-4-20(15-19)17-26-18-21-16-22(29-8-12-31-13-9-29)23(25)24(27-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14,18H2,1H3/b26-17+.
What are the key properties of N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine has a molecular weight of 442.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 58060636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).