2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol

C21H18FN3O — CID 142445466

IUPAC2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESCc1[nH]nc2ccc3nc(-c4ccc(O)c(F)c4)c4c(c3c12)CCCC4
InChIInChI=1S/C21H18FN3O/c1-11-19-17(25-24-11)8-7-16-20(19)13-4-2-3-5-14(13)21(23-16)12-6-9-18(26)15(22)10-12/h6-10,26H,2-5H2,1H3,(H,24,25)
InChIKeyUBCGVIGNMYOLCJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.81
Rot. Bonds1

About 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol

2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (PubChem CID 142445466) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
PubChem CID142445466
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESCc1[nH]nc2ccc3nc(-c4ccc(O)c(F)c4)c4c(c3c12)CCCC4
InChIInChI=1S/C21H18FN3O/c1-11-19-17(25-24-11)8-7-16-20(19)13-4-2-3-5-14(13)21(23-16)12-6-9-18(26)15(22)10-12/h6-10,26H,2-5H2,1H3,(H,24,25)
InChIKeyUBCGVIGNMYOLCJ-UHFFFAOYSA-N
XLogP4.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The IUPAC name of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (CID 142445466) is 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is Cc1[nH]nc2ccc3nc(-c4ccc(O)c(F)c4)c4c(c3c12)CCCC4.
What is the InChIKey of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The InChIKey is UBCGVIGNMYOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-11-19-17(25-24-11)8-7-16-20(19)13-4-2-3-5-14(13)21(23-16)12-6-9-18(26)15(22)10-12/h6-10,26H,2-5H2,1H3,(H,24,25).
What are the key properties of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol has a molecular weight of 347.39 g/mol, XLogP of 4.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).