About 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide
2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide (PubChem CID 158784884) has the molecular formula C133H153ClF3N21O10
and a molecular weight of 2298.27 g/mol. Its IUPAC name is 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The IUPAC name of 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide (CID 158784884) is 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The canonical SMILES for 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide is CCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccc(CC(=O)C4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2c(Cl)c(-c3ccc(CC(=O)C4CC4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3cc(NC(=O)C4CC4)ccc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)C4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)C4CC4)cc3F)nn12.
What is the InChIKey of 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The InChIKey is IRNYIRYIITYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN4O2.C27H31FN4O2.C27H32N4O2.C26H30FN5O2.C26H30N4O2/c1-3-19-15-22(27(35)32-12-6-4-5-7-16(32)2)30-26-24(28)25(31-33(19)26)20-11-8-17(13-21(20)29)14-23(34)18-9-10-18;1-3-20-15-24(27(34)31-12-6-4-5-7-17(31)2)29-26-16-23(30-32(20)26)21-11-8-18(13-22(21)28)14-25(33)19-9-10-19;1-3-22-16-24(27(33)30-14-6-4-5-7-18(30)2)28-26-17-23(29-31(22)26)20-10-8-19(9-11-20)15-25(32)21-12-13-21;1-3-19-14-23(26(34)31-12-6-4-5-7-16(31)2)29-24-15-22(30-32(19)24)20-13-18(10-11-21(20)27)28-25(33)17-8-9-17;1-3-21-15-23(26(32)29-13-5-4-6-17(29)2)27-25-16-22(28-30(21)25)19-9-7-18(8-10-19)14-24(31)20-11-12-20/h8,11,13,15-16,18H,3-7,9-10,12,14H2,1-2H3;8,11,13,15-17,19H,3-7,9-10,12,14H2,1-2H3;8-11,16-18,21H,3-7,12-15H2,1-2H3;10-11,13-17H,3-9,12H2,1-2H3,(H,28,33);7-10,15-17,20H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide?
2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 2298.27 g/mol, XLogP of 24.93, 29 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;1-cyclopropyl-2-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethanone;N-[3-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 158784884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).