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

C107H100N18O5 — CID 158579518

IUPAC7-(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
SMILESC1=Cc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cnc2C1.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.Oc1ccc(-c2nc3c(ccc4cn[nH]c43)c3c2CCCC3)cc1
InChIInChI=1S/C25H28N4O.C22H18N4.C21H19N3O2.C20H17N3O.C19H18N4O/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;1-2-6-16-15(5-1)21-17-12-24-26-19(17)8-9-20(21)25-22(16)14-10-13-4-3-7-18(13)23-11-14;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;24-14-8-5-12(6-9-14)18-16-4-2-1-3-15(16)17-10-7-13-11-21-23-19(13)20(17)22-18;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);3-4,8-12H,1-2,5-7H2,(H,24,26);6-11,25H,2-5H2,1H3,(H,22,24);5-11,24H,1-4H2,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22)
InChIKeyHTBPWPPRVNYDCU-UHFFFAOYSA-N
MW1718.10 g/mol
LogP22.82
Rot. Bonds10

About 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

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 (PubChem CID 158579518) has the molecular formula C107H100N18O5 and a molecular weight of 1718.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID158579518
Molecular FormulaC107H100N18O5
Molecular Weight1718.10 g/mol
Exact Mass1716.81
IUPAC Name7-(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
SMILESC1=Cc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cnc2C1.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.Oc1ccc(-c2nc3c(ccc4cn[nH]c43)c3c2CCCC3)cc1
InChIInChI=1S/C25H28N4O.C22H18N4.C21H19N3O2.C20H17N3O.C19H18N4O/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;1-2-6-16-15(5-1)21-17-12-24-26-19(17)8-9-20(21)25-22(16)14-10-13-4-3-7-18(13)23-11-14;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;24-14-8-5-12(6-9-14)18-16-4-2-1-3-15(16)17-10-7-13-11-21-23-19(13)20(17)22-18;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);3-4,8-12H,1-2,5-7H2,(H,24,26);6-11,25H,2-5H2,1H3,(H,22,24);5-11,24H,1-4H2,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22)
InChIKeyHTBPWPPRVNYDCU-UHFFFAOYSA-N
XLogP22.82
TPSA319.93 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.10
LogP ≤ 522.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

4-methoxy-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;4-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]morpholine;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline
CID 158186414
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
CID 159880309
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine;1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-naphthalen-1-ylpiperazine;4-[4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazin-1-yl]-2-benzofuran-1,3-dione;4-[4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzoxadiazole;8-[4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazin-1-yl]quinoline
CID 161571543
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cnc2C1.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.Oc1ccc(-c2nc3c(ccc4cn[nH]c43)c3c2CCCC3)cc1.
What is the InChIKey of 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?
The InChIKey is HTBPWPPRVNYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C22H18N4.C21H19N3O2.C20H17N3O.C19H18N4O/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;1-2-6-16-15(5-1)21-17-12-24-26-19(17)8-9-20(21)25-22(16)14-10-13-4-3-7-18(13)23-11-14;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;24-14-8-5-12(6-9-14)18-16-4-2-1-3-15(16)17-10-7-13-11-21-23-19(13)20(17)22-18;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);3-4,8-12H,1-2,5-7H2,(H,24,26);6-11,25H,2-5H2,1H3,(H,22,24);5-11,24H,1-4H2,(H,21,23);7-9H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 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?
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 has a molecular weight of 1718.10 g/mol, XLogP of 22.82, 10 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158579518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).