4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one

C117H138F2N16O9 — CID 158823660

About 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one

4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one (PubChem CID 158823660) has the molecular formula C117H138F2N16O9 and a molecular weight of 1950.49 g/mol. Its IUPAC name is 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one
• PubChem CID: 158823660
• Molecular Formula: C117H138F2N16O9
• Molecular Weight: 1950.49 g/mol
• Exact Mass: 1949.08
• IUPAC Name: 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one
• SMILES: CCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccc(CC(=O)CCC4CCCO4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CC4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CCC4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)nn12
• InChI: InChI=1S/C31H33FN4O2.C29H35FN4O3.C29H36N4O2.C28H34N4O2/c1-3-26-19-29(31(38)35-15-6-4-5-8-21(35)2)33-30-20-28(34-36(26)30)24-13-11-22(12-14-24)17-27(37)18-23-9-7-10-25(32)16-23;1-3-21-17-27(29(36)33-13-5-4-7-19(33)2)31-28-18-26(32-34(21)28)24-12-9-20(16-25(24)30)15-22(35)10-11-23-8-6-14-37-23;1-3-24-18-27(29(35)32-16-6-4-5-7-20(32)2)30-28-19-26(31-33(24)28)23-13-10-22(11-14-23)17-25(34)15-12-21-8-9-21;1-3-23-17-26(28(34)31-14-6-4-5-7-19(31)2)29-27-18-25(30-32(23)27)22-12-10-21(11-13-22)16-24(33)15-20-8-9-20/h7,9-14,16,19-21H,3-6,8,15,17-18H2,1-2H3;9,12,16-19,23H,3-8,10-11,13-15H2,1-2H3;10-11,13-14,18-21H,3-9,12,15-17H2,1-2H3;10-13,17-20H,3-9,14-16H2,1-2H3
• InChIKey: IWEJYXUOXPRFDK-UHFFFAOYSA-N
• XLogP: 21.98
• TPSA: 279.51 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.49
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one?

The IUPAC name of 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one (CID 158823660) is 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one.

What is the SMILES notation for 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one?

The canonical SMILES for 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one is CCc1cc(C(=O)N2CCCCC2C)nc2cc(-c3ccc(CC(=O)CCC4CCCO4)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CC4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)CCC4CC4)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)nn12.

What is the InChIKey of 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one?

The InChIKey is IWEJYXUOXPRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O2.C29H35FN4O3.C29H36N4O2.C28H34N4O2/c1-3-26-19-29(31(38)35-15-6-4-5-8-21(35)2)33-30-20-28(34-36(26)30)24-13-11-22(12-14-24)17-27(37)18-23-9-7-10-25(32)16-23;1-3-21-17-27(29(36)33-13-5-4-7-19(33)2)31-28-18-26(32-34(21)28)24-12-9-20(16-25(24)30)15-22(35)10-11-23-8-6-14-37-23;1-3-24-18-27(29(35)32-16-6-4-5-7-20(32)2)30-28-19-26(31-33(24)28)23-13-10-22(11-14-23)17-25(34)15-12-21-8-9-21;1-3-23-17-26(28(34)31-14-6-4-5-7-19(31)2)29-27-18-25(30-32(23)27)22-12-10-21(11-13-22)16-24(33)15-20-8-9-20/h7,9-14,16,19-21H,3-6,8,15,17-18H2,1-2H3;9,12,16-19,23H,3-8,10-11,13-15H2,1-2H3;10-11,13-14,18-21H,3-9,12,15-17H2,1-2H3;10-13,17-20H,3-9,14-16H2,1-2H3.

What are the key properties of 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one?

4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one has a molecular weight of 1950.49 g/mol, XLogP of 21.98, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]butan-2-one;1-cyclopropyl-3-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]propan-2-one;1-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-[7-ethyl-5-(2-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 158823660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).