4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

C95H111N17O5 — CID 163468642

IUPAC4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESC.C.C.C.C.C.CCN(CC)Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.COc1cc2nc(-c3ccc(O)cc3)c3c(c2c2cn[nH]c12)CCCC3.Cc1noc(C)c1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C25H28N4O.C24H22N6O.C21H19N3O2.C19H18N4O.6CH4/c1-3-29(4-2)15-22-24-21(27-28-22)14-13-20-23(24)18-7-5-6-8-19(18)25(26-20)16-9-11-17(30)12-10-16;1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14;1-26-18-10-17-19(16-11-22-24-21(16)18)14-4-2-3-5-15(14)20(23-17)12-6-8-13(25)9-7-12;1-10-17(11(2)24-23-10)19-13-6-4-3-5-12(13)18-14-9-20-22-15(14)7-8-16(18)21-19;;;;;;/h9-14,30H,3-8,15H2,1-2H3,(H,27,28);6-13,31H,2-5H2,1H3,(H2,26,27,28,29);6-11,25H,2-5H2,1H3,(H,22,24);7-9H,3-6H2,1-2H3,(H,20,22);6*1H4
InChIKeyBUTLIDNQGTWXKL-UHFFFAOYSA-N
MW1571.05 g/mol
LogP22.49
Rot. Bonds11

About 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (PubChem CID 163468642) has the molecular formula C95H111N17O5 and a molecular weight of 1571.05 g/mol. Its IUPAC name is 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
PubChem CID163468642
Molecular FormulaC95H111N17O5
Molecular Weight1571.05 g/mol
Exact Mass1569.90
IUPAC Name4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESC.C.C.C.C.C.CCN(CC)Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.COc1cc2nc(-c3ccc(O)cc3)c3c(c2c2cn[nH]c12)CCCC3.Cc1noc(C)c1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C25H28N4O.C24H22N6O.C21H19N3O2.C19H18N4O.6CH4/c1-3-29(4-2)15-22-24-21(27-28-22)14-13-20-23(24)18-7-5-6-8-19(18)25(26-20)16-9-11-17(30)12-10-16;1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14;1-26-18-10-17-19(16-11-22-24-21(16)18)14-4-2-3-5-15(14)20(23-17)12-6-8-13(25)9-7-12;1-10-17(11(2)24-23-10)19-13-6-4-3-5-12(13)18-14-9-20-22-15(14)7-8-16(18)21-19;;;;;;/h9-14,30H,3-8,15H2,1-2H3,(H,27,28);6-13,31H,2-5H2,1H3,(H2,26,27,28,29);6-11,25H,2-5H2,1H3,(H,22,24);7-9H,3-6H2,1-2H3,(H,20,22);6*1H4
InChIKeyBUTLIDNQGTWXKL-UHFFFAOYSA-N
XLogP22.49
TPSA295.32 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001571.05
LogP ≤ 522.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

7-(7H-cyclopenta[b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(6,7,8,9-tetrahydro-3H-pyrazolo[4,5-c]phenanthridin-5-yl)phenol
CID 158579518
N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide;1-(cyclohexen-1-yl)-N-[6-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indazol-5-yl]-1-(5-methyl-1H-pyrazol-4-yl)methanimine;5-ethoxy-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methylpiperazine
CID 162103837
methane;4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol;4-(9,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),8,10,12,15-hexaen-8-yl)phenol
CID 163465980

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The IUPAC name of 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (CID 163468642) is 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is C.C.C.C.C.C.CCN(CC)Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.COc1cc2nc(-c3ccc(O)cc3)c3c(c2c2cn[nH]c12)CCCC3.Cc1noc(C)c1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1.
What is the InChIKey of 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The InChIKey is BUTLIDNQGTWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C24H22N6O.C21H19N3O2.C19H18N4O.6CH4/c1-3-29(4-2)15-22-24-21(27-28-22)14-13-20-23(24)18-7-5-6-8-19(18)25(26-20)16-9-11-17(30)12-10-16;1-30-13-12-20(29-30)26-24-22-19(27-28-24)11-10-18-21(22)16-4-2-3-5-17(16)23(25-18)14-6-8-15(31)9-7-14;1-26-18-10-17-19(16-11-22-24-21(16)18)14-4-2-3-5-15(14)20(23-17)12-6-8-13(25)9-7-12;1-10-17(11(2)24-23-10)19-13-6-4-3-5-12(13)18-14-9-20-22-15(14)7-8-16(18)21-19;;;;;;/h9-14,30H,3-8,15H2,1-2H3,(H,27,28);6-13,31H,2-5H2,1H3,(H2,26,27,28,29);6-11,25H,2-5H2,1H3,(H,22,24);7-9H,3-6H2,1-2H3,(H,20,22);6*1H4.
What are the key properties of 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol has a molecular weight of 1571.05 g/mol, XLogP of 22.49, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylaminomethyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole;methane;4-(4-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 163468642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).