2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
C88H95F6N33O10 — CID 159948364
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.COC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.N#CC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C23H27FN8O3.C22H22FN9O2.C22H25FN8O3.C21H21F3N8O2/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32;23-15-8-27-20-18(19(25)29-32(20)12-15)21(33)28-16-9-26-4-1-17(16)30-5-2-14(3-6-30)22(34)31-10-13(7-24)11-31;1-34-15-11-30(12-15)22(33)13-3-6-29(7-4-13)17-2-5-25-9-16(17)27-21(32)18-19(24)28-31-10-14(23)8-26-20(18)31;22-13-7-27-18-16(17(25)29-32(18)9-13)19(33)28-14-8-26-4-1-15(14)30-5-2-12(3-6-30)20(34)31-10-21(23,24)11-31/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33);1,4,8-9,12-14H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33);2,5,8-10,13,15H,3-4,6-7,11-12H2,1H3,(H2,24,28)(H,27,32);1,4,7-9,12H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33)
InChIKeyOBTZRKSFPZAIJR-UHFFFAOYSA-N
MW1888.94 g/mol
LogP5.82
Rot. Bonds18
About 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159948364) has the molecular formula C88H95F6N33O10 and a molecular weight of 1888.94 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
|---|---|
| PubChem CID | 159948364 |
| Molecular Formula | C88H95F6N33O10 |
| Molecular Weight | 1888.94 g/mol |
| Exact Mass | 1887.78 |
| IUPAC Name | 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| SMILES | COC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.COC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.N#CC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC(F)(F)C2)CC1 |
| InChI | InChI=1S/C23H27FN8O3.C22H22FN9O2.C22H25FN8O3.C21H21F3N8O2/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32;23-15-8-27-20-18(19(25)29-32(20)12-15)21(33)28-16-9-26-4-1-17(16)30-5-2-14(3-6-30)22(34)31-10-13(7-24)11-31;1-34-15-11-30(12-15)22(33)13-3-6-29(7-4-13)17-2-5-25-9-16(17)27-21(32)18-19(24)28-31-10-14(23)8-26-20(18)31;22-13-7-27-18-16(17(25)29-32(18)9-13)19(33)28-14-8-26-4-1-15(14)30-5-2-12(3-6-30)20(34)31-10-21(23,24)11-31/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33);1,4,8-9,12-14H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33);2,5,8-10,13,15H,3-4,6-7,11-12H2,1H3,(H2,24,28)(H,27,32);1,4,7-9,12H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33) |
| InChIKey | OBTZRKSFPZAIJR-UHFFFAOYSA-N |
| XLogP | 5.82 |
| TPSA | 529.25 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 137 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1888.94 |
| LogP ≤ 5 | 5.82 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159948364) is 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1(C)CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.COC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.N#CC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CC(F)(F)C2)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBTZRKSFPZAIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O3.C22H22FN9O2.C22H25FN8O3.C21H21F3N8O2/c1-23(35-2)12-31(13-23)22(34)14-4-7-30(8-5-14)17-3-6-26-10-16(17)28-21(33)18-19(25)29-32-11-15(24)9-27-20(18)32;23-15-8-27-20-18(19(25)29-32(20)12-15)21(33)28-16-9-26-4-1-17(16)30-5-2-14(3-6-30)22(34)31-10-13(7-24)11-31;1-34-15-11-30(12-15)22(33)13-3-6-29(7-4-13)17-2-5-25-9-16(17)27-21(32)18-19(24)28-31-10-14(23)8-26-20(18)31;22-13-7-27-18-16(17(25)29-32(18)9-13)19(33)28-14-8-26-4-1-15(14)30-5-2-12(3-6-30)20(34)31-10-21(23,24)11-31/h3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3,(H2,25,29)(H,28,33);1,4,8-9,12-14H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33);2,5,8-10,13,15H,3-4,6-7,11-12H2,1H3,(H2,24,28)(H,27,32);1,4,7-9,12H,2-3,5-6,10-11H2,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1888.94 g/mol, XLogP of 5.82, 18 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159948364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159948364 — identifiers, structure, computed properties (public domain)
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