morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C23H21F3N6O2 — CID 155151737

IUPACmorpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4)N1CCOCC1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)21-14(11-27-31-21)19-13-4-2-1-3-12(13)17-15(28-19)5-6-16-18(17)20(30-29-16)22(33)32-7-9-34-10-8-32/h5-6,11H,1-4,7-10H2,(H,27,31)(H,29,30)
InChIKeyZHPULLFWBAGJEP-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.87
Rot. Bonds2

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

morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 155151737) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
PubChem CID155151737
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Namemorpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4)N1CCOCC1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)21-14(11-27-31-21)19-13-4-2-1-3-12(13)17-15(28-19)5-6-16-18(17)20(30-29-16)22(33)32-7-9-34-10-8-32/h5-6,11H,1-4,7-10H2,(H,27,31)(H,29,30)
InChIKeyZHPULLFWBAGJEP-UHFFFAOYSA-N
XLogP3.87
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 155151737) is morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is O=C(c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The InChIKey is ZHPULLFWBAGJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-23(25,26)21-14(11-27-31-21)19-13-4-2-1-3-12(13)17-15(28-19)5-6-16-18(17)20(30-29-16)22(33)32-7-9-34-10-8-32/h5-6,11H,1-4,7-10H2,(H,27,31)(H,29,30).
What are the key properties of morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone has a molecular weight of 470.46 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is sourced from PubChem (CID 155151737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).