2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol

C20H16FN3O — CID 142445580

IUPAC2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F
InChIInChI=1S/C20H16FN3O/c21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20/h5-10,25H,1-4H2,(H,22,24)
InChIKeyYGRRWSOQZHVRLG-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.50
Rot. Bonds1

About 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol

2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol (PubChem CID 142445580) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
PubChem CID142445580
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F
InChIInChI=1S/C20H16FN3O/c21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20/h5-10,25H,1-4H2,(H,22,24)
InChIKeyYGRRWSOQZHVRLG-UHFFFAOYSA-N
XLogP4.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The IUPAC name of 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol (CID 142445580) is 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol is Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.
What is the InChIKey of 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The InChIKey is YGRRWSOQZHVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20/h5-10,25H,1-4H2,(H,22,24).
What are the key properties of 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol has a molecular weight of 333.37 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).