Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
C150H143N27O2 — CID 157324892
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACmethane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESC.C.C.C.C.C.CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.Cc1ccc(-c2cnc3c(-c4ccc5ncccc5c4)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5cccnc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C28H28N6O.C28H27N5O.4C22H16N4.6CH4/c1-32-12-14-33(15-13-32)16-17-35-23-8-6-21(7-9-23)22-18-30-28-26(19-31-34(28)20-22)24-10-11-29-27-5-3-2-4-25(24)27;1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27;1-15-7-9-16(10-8-15)17-12-24-22-20(13-25-26(22)14-17)18-4-2-6-21-19(18)5-3-11-23-21;1-15-7-9-16(10-8-15)18-12-24-22-20(13-25-26(22)14-18)19-6-2-4-17-5-3-11-23-21(17)19;1-15-4-6-16(7-5-15)19-12-24-22-20(13-25-26(22)14-19)17-8-9-21-18(11-17)3-2-10-23-21;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;;;;;;/h2-11,18-20H,12-17H2,1H3;2-3,6-13,18-20H,1,4-5,14-17H2;4*2-14H,1H3;6*1H4
InChIKeyBEPFFZIRANHSIC-UHFFFAOYSA-N
MW2355.98 g/mol
LogP33.21
Rot. Bonds20
About Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 157324892) has the molecular formula C150H143N27O2 and a molecular weight of 2355.98 g/mol. Its IUPAC name is methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
Molecular Properties
| Compound Name | Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline |
|---|---|
| PubChem CID | 157324892 |
| Molecular Formula | C150H143N27O2 |
| Molecular Weight | 2355.98 g/mol |
| Exact Mass | 2354.19 |
| IUPAC Name | methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline |
| SMILES | C.C.C.C.C.C.CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.Cc1ccc(-c2cnc3c(-c4ccc5ncccc5c4)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5cccnc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1 |
| InChI | InChI=1S/C28H28N6O.C28H27N5O.4C22H16N4.6CH4/c1-32-12-14-33(15-13-32)16-17-35-23-8-6-21(7-9-23)22-18-30-28-26(19-31-34(28)20-22)24-10-11-29-27-5-3-2-4-25(24)27;1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27;1-15-7-9-16(10-8-15)17-12-24-22-20(13-25-26(22)14-17)18-4-2-6-21-19(18)5-3-11-23-21;1-15-7-9-16(10-8-15)18-12-24-22-20(13-25-26(22)14-18)19-6-2-4-17-5-3-11-23-21(17)19;1-15-4-6-16(7-5-15)19-12-24-22-20(13-25-26(22)14-19)17-8-9-21-18(11-17)3-2-10-23-21;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;;;;;;/h2-11,18-20H,12-17H2,1H3;2-3,6-13,18-20H,1,4-5,14-17H2;4*2-14H,1H3;6*1H4 |
| InChIKey | BEPFFZIRANHSIC-UHFFFAOYSA-N |
| XLogP | 33.21 |
| TPSA | 286.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 179 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2355.98 |
| LogP ≤ 5 | 33.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 157324892) is methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is C.C.C.C.C.C.CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.Cc1ccc(-c2cnc3c(-c4ccc5ncccc5c4)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5cccnc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is BEPFFZIRANHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O.C28H27N5O.4C22H16N4.6CH4/c1-32-12-14-33(15-13-32)16-17-35-23-8-6-21(7-9-23)22-18-30-28-26(19-31-34(28)20-22)24-10-11-29-27-5-3-2-4-25(24)27;1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27;1-15-7-9-16(10-8-15)17-12-24-22-20(13-25-26(22)14-17)18-4-2-6-21-19(18)5-3-11-23-21;1-15-7-9-16(10-8-15)18-12-24-22-20(13-25-26(22)14-18)19-6-2-4-17-5-3-11-23-21(17)19;1-15-4-6-16(7-5-15)19-12-24-22-20(13-25-26(22)14-19)17-8-9-21-18(11-17)3-2-10-23-21;1-15-6-8-16(9-7-15)19-12-24-22-20(13-25-26(22)14-19)18-10-17-4-2-3-5-21(17)23-11-18;;;;;;/h2-11,18-20H,12-17H2,1H3;2-3,6-13,18-20H,1,4-5,14-17H2;4*2-14H,1H3;6*1H4.
What are the key properties of Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 2355.98 g/mol, XLogP of 33.21, 20 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 157324892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157324892 — identifiers, structure, computed properties (public domain)
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