3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
C110H131F2N22O15- — CID 158217724
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
SMILESCC1CC(COc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC([O-])=C4C=CC(F)=CN4)ccc23)CC(C)O1.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21
InChIInChI=1S/C22H27FN4O3.C22H25FN4O3.2C22H27N5O3.C22H26N4O3/c1-13-8-15(9-14(2)30-13)12-29-22-18-6-5-17(10-20(18)27(3)26-22)25-21(28)19-7-4-16(23)11-24-19;1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-13-9-15(10-14(2)30-13)12-29-22-17-7-6-16(11-19(17)27(3)26-22)25-21(28)20-18(23)5-4-8-24-20;1-14-10-16(11-15(2)29-14)13-28-22-18-8-7-17(12-20(18)26(3)25-22)24-21(27)19-6-4-5-9-23-19/h4-7,10-11,13-15,24-25,28H,8-9,12H2,1-3H3;4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,11,13-15H,9-10,12,23H2,1-3H3,(H,25,28);4-9,12,14-16H,10-11,13H2,1-3H3,(H,24,27)/p-1
InChIKeyGFFUZJKXSLTMSC-UHFFFAOYSA-M
MW2039.39 g/mol
LogP17.59
Rot. Bonds25
About 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide (PubChem CID 158217724) has the molecular formula C110H131F2N22O15- and a molecular weight of 2039.39 g/mol. Its IUPAC name is 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158217724 |
| Molecular Formula | C110H131F2N22O15- |
| Molecular Weight | 2039.39 g/mol |
| Exact Mass | 2038.01 |
| IUPAC Name | 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide |
| SMILES | CC1CC(COc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC([O-])=C4C=CC(F)=CN4)ccc23)CC(C)O1.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21 |
| InChI | InChI=1S/C22H27FN4O3.C22H25FN4O3.2C22H27N5O3.C22H26N4O3/c1-13-8-15(9-14(2)30-13)12-29-22-18-6-5-17(10-20(18)27(3)26-22)25-21(28)19-7-4-16(23)11-24-19;1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-13-9-15(10-14(2)30-13)12-29-22-17-7-6-16(11-19(17)27(3)26-22)25-21(28)20-18(23)5-4-8-24-20;1-14-10-16(11-15(2)29-14)13-28-22-18-8-7-17(12-20(18)26(3)25-22)24-21(27)19-6-4-5-9-23-19/h4-7,10-11,13-15,24-25,28H,8-9,12H2,1-3H3;4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,11,13-15H,9-10,12,23H2,1-3H3,(H,25,28);4-9,12,14-16H,10-11,13H2,1-3H3,(H,24,27)/p-1 |
| InChIKey | GFFUZJKXSLTMSC-UHFFFAOYSA-M |
| XLogP | 17.59 |
| TPSA | 448.52 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 149 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2039.39 |
| LogP ≤ 5 | 17.59 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 33 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide (CID 158217724) is 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide is CC1CC(COc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)CC(C)O1.CC1CC(COc2nn(C)c3cc(NC([O-])=C4C=CC(F)=CN4)ccc23)CC(C)O1.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21.
What is the InChIKey of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?
The InChIKey is GFFUZJKXSLTMSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27FN4O3.C22H25FN4O3.2C22H27N5O3.C22H26N4O3/c1-13-8-15(9-14(2)30-13)12-29-22-18-6-5-17(10-20(18)27(3)26-22)25-21(28)19-7-4-16(23)11-24-19;1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-13-9-15(10-14(2)30-13)12-29-22-17-7-6-16(11-19(17)27(3)26-22)25-21(28)20-18(23)5-4-8-24-20;1-14-10-16(11-15(2)29-14)13-28-22-18-8-7-17(12-20(18)26(3)25-22)24-21(27)19-6-4-5-9-23-19/h4-7,10-11,13-15,24-25,28H,8-9,12H2,1-3H3;4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,11,13-15H,9-10,12,23H2,1-3H3,(H,25,28);4-9,12,14-16H,10-11,13H2,1-3H3,(H,24,27)/p-1.
What are the key properties of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?
3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide has a molecular weight of 2039.39 g/mol, XLogP of 17.59, 25 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;[[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]amino]-(5-fluoro-1H-pyridin-2-ylidene)methanolate;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158217724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158217724 — identifiers, structure, computed properties (public domain)
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