4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine

C26H32FN7O — CID 142991078

IUPAC4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(F)cc1-c1nc(N2CCCN(Cc3ccccn3)CCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H32FN7O/c1-20-7-8-21(27)18-23(20)24-29-25(31-26(30-24)34-14-16-35-17-15-34)33-12-4-10-32(11-5-13-33)19-22-6-2-3-9-28-22/h2-3,6-9,18H,4-5,10-17,19H2,1H3
InChIKeyZAUDANDAEGQFSZ-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.32
Rot. Bonds5

About 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine

4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 142991078) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID142991078
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC Name4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(F)cc1-c1nc(N2CCCN(Cc3ccccn3)CCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C26H32FN7O/c1-20-7-8-21(27)18-23(20)24-29-25(31-26(30-24)34-14-16-35-17-15-34)33-12-4-10-32(11-5-13-33)19-22-6-2-3-9-28-22/h2-3,6-9,18H,4-5,10-17,19H2,1H3
InChIKeyZAUDANDAEGQFSZ-UHFFFAOYSA-N
XLogP3.32
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
CID 141381288
4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 58508256
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115505122
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92568467

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 142991078) is 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine is Cc1ccc(F)cc1-c1nc(N2CCCN(Cc3ccccn3)CCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ZAUDANDAEGQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-20-7-8-21(27)18-23(20)24-29-25(31-26(30-24)34-14-16-35-17-15-34)33-12-4-10-32(11-5-13-33)19-22-6-2-3-9-28-22/h2-3,6-9,18H,4-5,10-17,19H2,1H3.
What are the key properties of 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 477.59 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 142991078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).