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

C22H21F3N6O — CID 142445847

IUPAC4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CC(N1CCOCC1)CC2
InChIInChI=1S/C22H21F3N6O/c23-22(24,25)21-16(11-27-30-21)20-14-9-12(31-5-7-32-8-6-31)1-2-13(14)19-15-10-26-29-17(15)3-4-18(19)28-20/h3-4,10-12H,1-2,5-9H2,(H,26,29)(H,27,30)
InChIKeyNBVHJEAUDYXOEQ-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.71
Rot. Bonds2

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

4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine (PubChem CID 142445847) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine.

Molecular Properties

Compound Name4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine
PubChem CID142445847
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine
SMILESFC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CC(N1CCOCC1)CC2
InChIInChI=1S/C22H21F3N6O/c23-22(24,25)21-16(11-27-30-21)20-14-9-12(31-5-7-32-8-6-31)1-2-13(14)19-15-10-26-29-17(15)3-4-18(19)28-20/h3-4,10-12H,1-2,5-9H2,(H,26,29)(H,27,30)
InChIKeyNBVHJEAUDYXOEQ-UHFFFAOYSA-N
XLogP3.71
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine?
The IUPAC name of 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine (CID 142445847) is 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine.
What is the SMILES notation for 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine?
The canonical SMILES for 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine is FC(F)(F)c1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CC(N1CCOCC1)CC2.
What is the InChIKey of 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine?
The InChIKey is NBVHJEAUDYXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c23-22(24,25)21-16(11-27-30-21)20-14-9-12(31-5-7-32-8-6-31)1-2-13(14)19-15-10-26-29-17(15)3-4-18(19)28-20/h3-4,10-12H,1-2,5-9H2,(H,26,29)(H,27,30).
What are the key properties of 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine?
4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine has a molecular weight of 442.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]morpholine is sourced from PubChem (CID 142445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).