6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
C102H100F15N25O10 — CID 158885401
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)c(C)nn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)nc4)CCOCC3)c(C)nn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1.O=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C22H22F3N5O2.C21H20F3N5O2.2C20H20F3N5O2.C19H18F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25;22-21(23,24)15-3-4-17(25-10-15)20(5-7-31-8-6-20)28-19(30)16-11-27-29-12-14(13-1-2-13)9-26-18(16)29;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)15-4-3-14(10-24-15)20(21,22)23;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)14-3-4-15(24-10-14)20(21,22)23;1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31);3-4,9-13H,1-2,5-8H2,(H,28,30);2*3-4,9-11H,5-8H2,1-2H3,(H,26,29);2-3,8-11H,4-7H2,1H3,(H,26,28)
InChIKeyJDOIRGXHPRWNPQ-UHFFFAOYSA-N
MW2121.06 g/mol
LogP16.50
Rot. Bonds17
About 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158885401) has the molecular formula C102H100F15N25O10 and a molecular weight of 2121.06 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
|---|---|
| PubChem CID | 158885401 |
| Molecular Formula | C102H100F15N25O10 |
| Molecular Weight | 2121.06 g/mol |
| Exact Mass | 2119.78 |
| IUPAC Name | 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| SMILES | Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)c(C)nn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)nc4)CCOCC3)c(C)nn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1.O=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1)c1cnn2cc(C3CC3)cnc12 |
| InChI | InChI=1S/C22H22F3N5O2.C21H20F3N5O2.2C20H20F3N5O2.C19H18F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25;22-21(23,24)15-3-4-17(25-10-15)20(5-7-31-8-6-20)28-19(30)16-11-27-29-12-14(13-1-2-13)9-26-18(16)29;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)15-4-3-14(10-24-15)20(21,22)23;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)14-3-4-15(24-10-14)20(21,22)23;1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31);3-4,9-13H,1-2,5-8H2,(H,28,30);2*3-4,9-11H,5-8H2,1-2H3,(H,26,29);2-3,8-11H,4-7H2,1H3,(H,26,28) |
| InChIKey | JDOIRGXHPRWNPQ-UHFFFAOYSA-N |
| XLogP | 16.50 |
| TPSA | 407.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 152 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2121.06 |
| LogP ≤ 5 | 16.50 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158885401) is 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)c(C)nn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)nc4)CCOCC3)c(C)nn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1.O=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDOIRGXHPRWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2.C21H20F3N5O2.2C20H20F3N5O2.C19H18F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25;22-21(23,24)15-3-4-17(25-10-15)20(5-7-31-8-6-20)28-19(30)16-11-27-29-12-14(13-1-2-13)9-26-18(16)29;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)15-4-3-14(10-24-15)20(21,22)23;1-12-9-25-17-16(13(2)27-28(17)11-12)18(29)26-19(5-7-30-8-6-19)14-3-4-15(24-10-14)20(21,22)23;1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31);3-4,9-13H,1-2,5-8H2,(H,28,30);2*3-4,9-11H,5-8H2,1-2H3,(H,26,29);2-3,8-11H,4-7H2,1H3,(H,26,28).
What are the key properties of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2121.06 g/mol, XLogP of 16.50, 17 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158885401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158885401 — identifiers, structure, computed properties (public domain)
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