4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine

C27H24FN5O2 — CID 58354687

IUPAC4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine
SMILESFc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C27H24FN5O2/c28-22-16-31-27-26(21-14-23(30-17-24(21)32-27)19-2-1-7-29-15-19)25(22)18-3-5-20(6-4-18)35-13-10-33-8-11-34-12-9-33/h1-7,14-17H,8-13H2,(H,31,32)
InChIKeyGFVPLUKLKSDBJG-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.69
Rot. Bonds6

About 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine

4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine (PubChem CID 58354687) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine
PubChem CID58354687
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine
SMILESFc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C27H24FN5O2/c28-22-16-31-27-26(21-14-23(30-17-24(21)32-27)19-2-1-7-29-15-19)25(22)18-3-5-20(6-4-18)35-13-10-33-8-11-34-12-9-33/h1-7,14-17H,8-13H2,(H,31,32)
InChIKeyGFVPLUKLKSDBJG-UHFFFAOYSA-N
XLogP4.69
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine with MolForge

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Related Compounds

Gdc-0425
CID 58266779
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
Rwj-68354
CID 9819053
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine (CID 58354687) is 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine is Fc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine?
The InChIKey is GFVPLUKLKSDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c28-22-16-31-27-26(21-14-23(30-17-24(21)32-27)19-2-1-7-29-15-19)25(22)18-3-5-20(6-4-18)35-13-10-33-8-11-34-12-9-33/h1-7,14-17H,8-13H2,(H,31,32).
What are the key properties of 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine has a molecular weight of 469.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 58354687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).