cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine

C122H115N21O6S — CID 158159956

IUPACcyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine
SMILESCN1CCN(C2=CCc3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc32)CC1.CS(=O)(=O)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1.NC1=CCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C(C1CCCC1)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4
InChIInChI=1S/C28H29N5.C26H25N3O2.C24H22N6O.C23H20N4.C21H19N3O3S/c1-32-12-14-33(15-13-32)26-11-8-18-6-7-19(16-22(18)26)28-21-5-3-2-4-20(21)27-23-17-29-31-24(23)9-10-25(27)30-28;30-18-11-9-16(10-12-18)25-20-8-4-3-7-19(20)24-21-15-27-29(23(21)14-13-22(24)28-25)26(31)17-5-1-2-6-17;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;24-19-8-7-13-5-6-14(11-17(13)19)23-16-4-2-1-3-15(16)22-18-12-25-27-20(18)9-10-21(22)26-23;1-28(26,27)24-19-11-10-18-20(17(19)12-22-24)15-4-2-3-5-16(15)21(23-18)13-6-8-14(25)9-7-13/h6-7,9-11,16-17H,2-5,8,12-15H2,1H3,(H,29,31);9-15,17,30H,1-8H2;6-13,31H,2-5H2,1H3,(H2,26,27,28,29);5-6,8-12H,1-4,7,24H2,(H,25,27);6-12,25H,2-5H2,1H3
InChIKeyFWDLHCCOEMIQLJ-UHFFFAOYSA-N
MW2003.47 g/mol
LogP23.46
Rot. Bonds10

About cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine

cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine (PubChem CID 158159956) has the molecular formula C122H115N21O6S and a molecular weight of 2003.47 g/mol. Its IUPAC name is cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine.

Molecular Properties

Compound Namecyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine
PubChem CID158159956
Molecular FormulaC122H115N21O6S
Molecular Weight2003.47 g/mol
Exact Mass2001.91
IUPAC Namecyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine
SMILESCN1CCN(C2=CCc3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc32)CC1.CS(=O)(=O)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1.NC1=CCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C(C1CCCC1)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4
InChIInChI=1S/C28H29N5.C26H25N3O2.C24H22N6O.C23H20N4.C21H19N3O3S/c1-32-12-14-33(15-13-32)26-11-8-18-6-7-19(16-22(18)26)28-21-5-3-2-4-20(21)27-23-17-29-31-24(23)9-10-25(27)30-28;30-18-11-9-16(10-12-18)25-20-8-4-3-7-19(20)24-21-15-27-29(23(21)14-13-22(24)28-25)26(31)17-5-1-2-6-17;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;24-19-8-7-13-5-6-14(11-17(13)19)23-16-4-2-1-3-15(16)22-18-12-25-27-20(18)9-10-21(22)26-23;1-28(26,27)24-19-11-10-18-20(17(19)12-22-24)15-4-2-3-5-16(15)21(23-18)13-6-8-14(25)9-7-13/h6-7,9-11,16-17H,2-5,8,12-15H2,1H3,(H,29,31);9-15,17,30H,1-8H2;6-13,31H,2-5H2,1H3,(H2,26,27,28,29);5-6,8-12H,1-4,7,24H2,(H,25,27);6-12,25H,2-5H2,1H3
InChIKeyFWDLHCCOEMIQLJ-UHFFFAOYSA-N
XLogP23.46
TPSA360.38 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002003.47
LogP ≤ 523.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine?
The IUPAC name of cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine (CID 158159956) is cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine.
What is the SMILES notation for cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine?
The canonical SMILES for cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine is CN1CCN(C2=CCc3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc32)CC1.CS(=O)(=O)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Cn1ccc(Nc2n[nH]c3ccc4nc(-c5ccc(O)cc5)c5c(c4c23)CCCC5)n1.NC1=CCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C(C1CCCC1)n1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.
What is the InChIKey of cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine?
The InChIKey is FWDLHCCOEMIQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5.C26H25N3O2.C24H22N6O.C23H20N4.C21H19N3O3S/c1-32-12-14-33(15-13-32)26-11-8-18-6-7-19(16-22(18)26)28-21-5-3-2-4-20(21)27-23-17-29-31-24(23)9-10-25(27)30-28;30-18-11-9-16(10-12-18)25-20-8-4-3-7-19(20)24-21-15-27-29(23(21)14-13-22(24)28-25)26(31)17-5-1-2-6-17;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;24-19-8-7-13-5-6-14(11-17(13)19)23-16-4-2-1-3-15(16)22-18-12-25-27-20(18)9-10-21(22)26-23;1-28(26,27)24-19-11-10-18-20(17(19)12-22-24)15-4-2-3-5-16(15)21(23-18)13-6-8-14(25)9-7-13/h6-7,9-11,16-17H,2-5,8,12-15H2,1H3,(H,29,31);9-15,17,30H,1-8H2;6-13,31H,2-5H2,1H3,(H2,26,27,28,29);5-6,8-12H,1-4,7,24H2,(H,25,27);6-12,25H,2-5H2,1H3.
What are the key properties of cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine?
cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine has a molecular weight of 2003.47 g/mol, XLogP of 23.46, 10 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]methanone;7-[3-(4-methylpiperazin-1-yl)-1H-inden-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[1-[(1-methylpyrazol-3-yl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-(3-methylsulfonyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-inden-1-amine is sourced from PubChem (CID 158159956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).