About azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 157148122) has the molecular formula C56H72Cl4F2N14O6S2
and a molecular weight of 1281.23 g/mol. Its IUPAC name is azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.
Analyze azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (CID 157148122) is azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is C1CNC1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(N3CCC[C@@H](CF)C3)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CCC[C@@H](CF)C3)n2n1.Cl.
What is the InChIKey of azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is JWNDGOTUDBMQQF-QEEUQTICSA-N. The full InChI is InChI=1S/C28H35ClFN7O3S.C25H29Cl2FN6O3S.C3H7N.ClH/c1-41(39,40)33-22-9-8-20(29)14-21(22)28(38)36-13-3-2-7-24(36)23-15-26-31-25(34-11-5-12-34)16-27(37(26)32-23)35-10-4-6-19(17-30)18-35;1-38(36,37)31-19-8-7-17(26)11-18(19)25(35)33-10-3-2-6-21(33)20-12-23-29-22(27)13-24(34(23)30-20)32-9-4-5-16(14-28)15-32;1-2-4-3-1;/h8-9,14-16,19,24,33H,2-7,10-13,17-18H2,1H3;7-8,11-13,16,21,31H,2-6,9-10,14-15H2,1H3;4H,1-3H2;1H/t19-,24-;16-,21-;;/m00../s1.
What are the key properties of azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 1281.23 g/mol, XLogP of 9.88, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-chloro-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 157148122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).