2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide

C110H105F4N17O5S — CID 163496051

IUPAC2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide
SMILESC.C.C.C.C.COc1cc(O)ccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.CS(=O)(=O)Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1F
InChIInChI=1S/C22H20N2O2.2C21H15FN4.C21H20N4O2S.C20H15F2N3O.5CH4/c1-26-20-12-13(25)6-7-17(20)22-15-5-3-2-4-14(15)21-16-10-11-23-18(16)8-9-19(21)24-22;2*22-17-6-5-12(9-13(17)10-23)21-15-4-2-1-3-14(15)20-16-11-24-26-18(16)7-8-19(20)25-21;1-28(26,27)25-14-8-6-13(7-9-14)21-16-5-3-2-4-15(16)20-17-12-22-24-18(17)10-11-19(20)23-21;21-18-12(5-8-16(26)19(18)22)20-11-4-2-1-3-10(11)17-13-9-23-25-14(13)6-7-15(17)24-20;;;;;/h6-12,24-25H,2-5H2,1H3;2*5-9,11H,1-4H2,(H,24,26);6-12,25H,2-5H2,1H3,(H,22,24);5-9,26H,1-4H2,(H,23,25);5*1H4
InChIKeyBEFPVRIIOMYTDP-UHFFFAOYSA-N
MW1853.22 g/mol
LogP26.16
Rot. Bonds8

About 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide

2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide (PubChem CID 163496051) has the molecular formula C110H105F4N17O5S and a molecular weight of 1853.22 g/mol. Its IUPAC name is 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide
PubChem CID163496051
Molecular FormulaC110H105F4N17O5S
Molecular Weight1853.22 g/mol
Exact Mass1851.81
IUPAC Name2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide
SMILESC.C.C.C.C.COc1cc(O)ccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.CS(=O)(=O)Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1F
InChIInChI=1S/C22H20N2O2.2C21H15FN4.C21H20N4O2S.C20H15F2N3O.5CH4/c1-26-20-12-13(25)6-7-17(20)22-15-5-3-2-4-14(15)21-16-10-11-23-18(16)8-9-19(21)24-22;2*22-17-6-5-12(9-13(17)10-23)21-15-4-2-1-3-14(15)20-16-11-24-26-18(16)7-8-19(20)25-21;1-28(26,27)25-14-8-6-13(7-9-14)21-16-5-3-2-4-15(16)20-17-12-22-24-18(17)10-11-19(20)23-21;21-18-12(5-8-16(26)19(18)22)20-11-4-2-1-3-10(11)17-13-9-23-25-14(13)6-7-15(17)24-20;;;;;/h6-12,24-25H,2-5H2,1H3;2*5-9,11H,1-4H2,(H,24,26);6-12,25H,2-5H2,1H3,(H,22,24);5-9,26H,1-4H2,(H,23,25);5*1H4
InChIKeyBEFPVRIIOMYTDP-UHFFFAOYSA-N
XLogP26.16
TPSA338.40 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001853.22
LogP ≤ 526.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide with MolForge

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Related Compounds

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol
CID 157284919
2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol
CID 159476400
1-[6-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3a,7a-dihydro-3H-inden-1-yl]-4-methylpiperazine;3-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-6-fluorocyclohexa-2,4-diene-1-carbonitrile;3-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-pyridinyl]-6-fluorocyclohexa-2,4-diene-1-carbonitrile;2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;methanol;(3E,5Z)-5-methoxy-6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)hexa-1,3,5-trien-3-ol
CID 160549562
2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;2-fluoro-5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile;3-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[4-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-yl]piperazin-1-yl]ethanol
CID 161434675

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide (CID 163496051) is 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide is C.C.C.C.C.COc1cc(O)ccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.CS(=O)(=O)Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.N#Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1F.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide?
The InChIKey is BEFPVRIIOMYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.2C21H15FN4.C21H20N4O2S.C20H15F2N3O.5CH4/c1-26-20-12-13(25)6-7-17(20)22-15-5-3-2-4-14(15)21-16-10-11-23-18(16)8-9-19(21)24-22;2*22-17-6-5-12(9-13(17)10-23)21-15-4-2-1-3-14(15)20-16-11-24-26-18(16)7-8-19(20)25-21;1-28(26,27)25-14-8-6-13(7-9-14)21-16-5-3-2-4-15(16)20-17-12-22-24-18(17)10-11-19(20)23-21;21-18-12(5-8-16(26)19(18)22)20-11-4-2-1-3-10(11)17-13-9-23-25-14(13)6-7-15(17)24-20;;;;;/h6-12,24-25H,2-5H2,1H3;2*5-9,11H,1-4H2,(H,24,26);6-12,25H,2-5H2,1H3,(H,22,24);5-9,26H,1-4H2,(H,23,25);5*1H4.
What are the key properties of 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide?
2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide has a molecular weight of 1853.22 g/mol, XLogP of 26.16, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;bis(2-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile);methane;3-methoxy-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 163496051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).