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

C24H24N4O2 — CID 155151707

IUPAC4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]nc(N5CCOCC5)c4c3c3c2CCCC3)cc1
InChIInChI=1S/C24H24N4O2/c29-16-7-5-15(6-8-16)23-18-4-2-1-3-17(18)21-19(25-23)9-10-20-22(21)24(27-26-20)28-11-13-30-14-12-28/h5-10,29H,1-4,11-14H2,(H,26,27)
InChIKeyNWLCTOBTEZSOHH-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.20
Rot. Bonds2

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

4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (PubChem CID 155151707) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
PubChem CID155151707
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]nc(N5CCOCC5)c4c3c3c2CCCC3)cc1
InChIInChI=1S/C24H24N4O2/c29-16-7-5-15(6-8-16)23-18-4-2-1-3-17(18)21-19(25-23)9-10-20-22(21)24(27-26-20)28-11-13-30-14-12-28/h5-10,29H,1-4,11-14H2,(H,26,27)
InChIKeyNWLCTOBTEZSOHH-UHFFFAOYSA-N
XLogP4.20
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (CID 155151707) is 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is Oc1ccc(-c2nc3ccc4[nH]nc(N5CCOCC5)c4c3c3c2CCCC3)cc1.
What is the InChIKey of 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The InChIKey is NWLCTOBTEZSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-16-7-5-15(6-8-16)23-18-4-2-1-3-17(18)21-19(25-23)9-10-20-22(21)24(27-26-20)28-11-13-30-14-12-28/h5-10,29H,1-4,11-14H2,(H,26,27).
What are the key properties of 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol has a molecular weight of 400.48 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 155151707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).