4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine

C24H25F3N6O2 — CID 155151775

IUPAC4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine
SMILESFC(F)(F)c1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)23-17(13-29-32-23)21-15-4-2-1-3-14(15)20-16-12-28-31-18(16)11-19(22(20)30-21)35-10-7-33-5-8-34-9-6-33/h11-13H,1-10H2,(H,28,31)(H,29,32)
InChIKeyARPPTIBPBZYPAU-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.11
Rot. Bonds5

About 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine

4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine (PubChem CID 155151775) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine
PubChem CID155151775
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine
SMILESFC(F)(F)c1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)23-17(13-29-32-23)21-15-4-2-1-3-14(15)20-16-12-28-31-18(16)11-19(22(20)30-21)35-10-7-33-5-8-34-9-6-33/h11-13H,1-10H2,(H,28,31)(H,29,32)
InChIKeyARPPTIBPBZYPAU-UHFFFAOYSA-N
XLogP4.11
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine (CID 155151775) is 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine is FC(F)(F)c1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine?
The InChIKey is ARPPTIBPBZYPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c25-24(26,27)23-17(13-29-32-23)21-15-4-2-1-3-14(15)20-16-12-28-31-18(16)11-19(22(20)30-21)35-10-7-33-5-8-34-9-6-33/h11-13H,1-10H2,(H,28,31)(H,29,32).
What are the key properties of 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine?
4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine has a molecular weight of 486.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 155151775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).