About tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine
tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158981892) has the molecular formula C74H78F6N14O11
and a molecular weight of 1453.51 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine.
Analyze tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine (CID 158981892) is tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine is COc1ccc(Cn2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c3c(Oc4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)ccnc32)cc1.COc1ccc(Cn2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c3c(Oc4ccc(C(=O)O)cc4)ccnc32)cc1.Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JPCJORVZHVUXDE-UCRZIDMNSA-N. The full InChI is InChI=1S/C37H38F3N7O5.C31H35N5O6.C6H5F3N2/c1-36(2,3)52-35(49)43-26-6-5-19-46(22-26)33-31-29(16-18-42-32(31)47(45-33)21-23-7-11-27(50-4)12-8-23)51-28-13-9-24(10-14-28)34(48)44-30-20-25(15-17-41-30)37(38,39)40;1-31(2,3)42-30(39)33-22-6-5-17-35(19-22)28-26-25(41-24-13-9-21(10-14-24)29(37)38)15-16-32-27(26)36(34-28)18-20-7-11-23(40-4)12-8-20;7-6(8,9)4-1-2-11-5(10)3-4/h7-18,20,26H,5-6,19,21-22H2,1-4H3,(H,43,49)(H,41,44,48);7-16,22H,5-6,17-19H2,1-4H3,(H,33,39)(H,37,38);1-3H,(H2,10,11)/t26-;22-;/m11./s1.
What are the key properties of tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine?
tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1453.51 g/mol, XLogP of 14.59, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]piperidin-3-yl]carbamate;4-[1-[(4-methoxyphenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158981892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).