5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline

C84H83N17O3 — CID 158848291

About 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline

5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline (PubChem CID 158848291) has the molecular formula C84H83N17O3 and a molecular weight of 1378.70 g/mol. Its IUPAC name is 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline.

Molecular Properties

• Compound Name: 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline
• PubChem CID: 158848291
• Molecular Formula: C84H83N17O3
• Molecular Weight: 1378.70 g/mol
• Exact Mass: 1377.69
• IUPAC Name: 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline
• SMILES: COc1ccc2c(-c3cnn4cc(-c5ccc(N6[C@H](C)CCC[C@@H]6C)cc5)cnc34)cccc2n1.COc1ccc2c(-c3cnn4cc(-c5ccc(N6[C@H](C)CNC[C@@H]6C)cc5)cnc34)cccc2n1.C[C@@H]1CNC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5[nH]c(=O)ccc45)cnn3c2)cc1
• InChI: InChI=1S/C29H29N5O.C28H28N6O.C27H26N6O/c1-19-6-4-7-20(2)34(19)23-12-10-21(11-13-23)22-16-30-29-26(17-31-33(29)18-22)24-8-5-9-27-25(24)14-15-28(32-27)35-3;1-18-13-29-14-19(2)34(18)22-9-7-20(8-10-22)21-15-30-28-25(16-31-33(28)17-21)23-5-4-6-26-24(23)11-12-27(32-26)35-3;1-17-12-28-13-18(2)33(17)21-8-6-19(7-9-21)20-14-29-27-24(15-30-32(27)16-20)22-4-3-5-25-23(22)10-11-26(34)31-25/h5,8-20H,4,6-7H2,1-3H3;4-12,15-19,29H,13-14H2,1-3H3;3-11,14-18,28H,12-13H2,1-2H3,(H,31,34)/t19-,20+;18-,19+;17-,18+
• InChIKey: IZCSNHPPFNQLQD-UMCHMJHUSA-N
• XLogP: 15.29
• TPSA: 201.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1378.70
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline?

The IUPAC name of 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline (CID 158848291) is 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline.

What is the SMILES notation for 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline?

The canonical SMILES for 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline is COc1ccc2c(-c3cnn4cc(-c5ccc(N6[C@H](C)CCC[C@@H]6C)cc5)cnc34)cccc2n1.COc1ccc2c(-c3cnn4cc(-c5ccc(N6[C@H](C)CNC[C@@H]6C)cc5)cnc34)cccc2n1.C[C@@H]1CNC[C@H](C)N1c1ccc(-c2cnc3c(-c4cccc5[nH]c(=O)ccc45)cnn3c2)cc1.

What is the InChIKey of 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline?

The InChIKey is IZCSNHPPFNQLQD-UMCHMJHUSA-N. The full InChI is InChI=1S/C29H29N5O.C28H28N6O.C27H26N6O/c1-19-6-4-7-20(2)34(19)23-12-10-21(11-13-23)22-16-30-29-26(17-31-33(29)18-22)24-8-5-9-27-25(24)14-15-28(32-27)35-3;1-18-13-29-14-19(2)34(18)22-9-7-20(8-10-22)21-15-30-28-25(16-31-33(28)17-21)23-5-4-6-26-24(23)11-12-27(32-26)35-3;1-17-12-28-13-18(2)33(17)21-8-6-19(7-9-21)20-14-29-27-24(15-30-32(27)16-20)22-4-3-5-25-23(22)10-11-26(34)31-25/h5,8-20H,4,6-7H2,1-3H3;4-12,15-19,29H,13-14H2,1-3H3;3-11,14-18,28H,12-13H2,1-2H3,(H,31,34)/t19-,20+;18-,19+;17-,18+.

What are the key properties of 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline?

5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline has a molecular weight of 1378.70 g/mol, XLogP of 15.29, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline;5-[6-[4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-quinolin-2-one;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyquinoline is sourced from PubChem (CID 158848291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).