About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol (PubChem CID 158581958) has the molecular formula C142H148N26O8
and a molecular weight of 2346.92 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol.
Frequently Asked Questions
What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol (CID 158581958) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol is CC(C)(C)c1cc(CC(=O)Cc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)no1.CC(C)(C)c1cc(NC(=O)NC2CCc3c(c(-c4ccc5c(c4)C=NC5)nc4ccc5[nH]ncc5c34)C2)no1.CN(CCO)C1=NCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.CN1CCN(CC(=O)Cc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)CC1.O=C(Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1)CN1CCN(CCO)CC1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol?
The InChIKey is HTIZAJANOLLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2.C30H30N4O2.C29H33N5O2.C28H31N5O.C25H25N5O/c1-30(2,3)25-12-26(37-39-25)35-29(38)33-19-6-7-20-21(11-19)28(16-4-5-17-13-31-14-18(17)10-16)34-24-9-8-23-22(27(20)24)15-32-36-23;1-30(2,3)27-16-20(34-36-27)15-21(35)14-18-8-10-19(11-9-18)29-23-7-5-4-6-22(23)28-24-17-31-33-25(24)12-13-26(28)32-29;35-16-15-33-11-13-34(14-12-33)19-22(36)17-20-5-7-21(8-6-20)29-24-4-2-1-3-23(24)28-25-18-30-32-26(25)9-10-27(28)31-29;1-32-12-14-33(15-13-32)18-21(34)16-19-6-8-20(9-7-19)28-23-5-3-2-4-22(23)27-24-17-29-31-25(24)10-11-26(27)30-28;1-30(10-11-31)25-19-12-15(6-7-16(19)13-26-25)24-18-5-3-2-4-17(18)23-20-14-27-29-21(20)8-9-22(23)28-24/h4-5,8-10,12,14-15,19H,6-7,11,13H2,1-3H3,(H,32,36)(H2,33,35,37,38);8-13,16-17H,4-7,14-15H2,1-3H3,(H,31,33);5-10,18,35H,1-4,11-17,19H2,(H,30,32);6-11,17H,2-5,12-16,18H2,1H3,(H,29,31);6-9,12,14,31H,2-5,10-11,13H2,1H3,(H,27,29).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol has a molecular weight of 2346.92 g/mol, XLogP of 23.21, 23 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]urea;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;1-(4-methylpiperazin-1-yl)-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]propan-2-one;2-[methyl-[6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3H-isoindol-1-yl]amino]ethanol is sourced from PubChem (CID 158581958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).