About 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride
3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride (PubChem CID 158994932) has the molecular formula C108H106BrFN32O6
and a molecular weight of 2047.16 g/mol. Its IUPAC name is 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride.
Frequently Asked Questions
What is the IUPAC name of 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride?
The IUPAC name of 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride (CID 158994932) is 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride.
What is the SMILES notation for 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride?
The canonical SMILES for 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride is C#N.C=C/C=C\C=C.C=Cc1[nH]ncc1-c1cnc(-c2cn[nH]c2C)cc1-c1cc(C)c(C)c(OC)c1.Cc1[nH]ncc1-c1cc(Oc2ccc(Br)cc2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4cn(CCO)nn4)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(-c3cn(CC(=O)O)nn3)c2c1)C1=CCCCC1.Cc1[nH]ncc1C(=CC=O)NC1=CC2C=NNC2C=C1.F.
What is the InChIKey of 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride?
The InChIKey is RKDSUDCDFBHLNV-RHRYRGMHSA-N. The full InChI is InChI=1S/C23H23N5O.C22H22N8O2.C22H22N8O.C20H14BrN5O.C14H15N5O.C6H8.CHN.FH/c1-6-21-20(12-26-28-21)19-10-24-22(18-11-25-27-15(18)4)9-17(19)16-7-13(2)14(3)23(8-16)29-5;1-13-17(10-23-25-13)21(14-5-3-2-4-6-14)24-15-7-8-18-16(9-15)22(28-26-18)19-11-30(29-27-19)12-20(31)32;1-12-15(10-23-25-12)21-14-5-3-2-4-13(14)19-16(24-21)6-7-17-20(19)22(28-26-17)18-11-30(8-9-31)29-27-18;1-11-14(9-22-25-11)18-8-19(27-13-4-2-12(21)3-5-13)20-15-10-23-26-16(15)6-7-17(20)24-18;1-9-12(8-16-18-9)14(4-5-20)17-11-2-3-13-10(6-11)7-15-19-13;1-3-5-6-4-2;1-2;/h6-12H,1H2,2-5H3,(H,25,27)(H,26,28);5,7-11H,2-4,6,12H2,1H3,(H,23,25)(H,26,28)(H,31,32);6-7,10-11,31H,2-5,8-9H2,1H3,(H,23,25)(H,26,28);2-10H,1H3,(H,22,25)(H,23,26);2-8,10,13,17,19H,1H3,(H,16,18);3-6H,1-2H2;1H;1H/b;24-21+;;;;6-5-;;.
What are the key properties of 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride?
3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride has a molecular weight of 2047.16 g/mol, XLogP of 20.05, 24 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a,7a-dihydro-1H-indazol-5-ylamino)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal;9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-[4-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]triazol-1-yl]acetic acid;5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;formonitrile;(3Z)-hexa-1,3,5-triene;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol;hydrofluoride is sourced from PubChem (CID 158994932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).