2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C111H137F5N40O12S2 — CID 158857040
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CS(C)(=O)=O)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CS(C)(=O)=O)c5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F
InChIInChI=1S/3C23H29FN8O2.2C21H25FN8O3S/c3*1-13-5-6-14(10-30(13)15-9-26-31(11-15)23(2,3)12-33)20-28-21-16-7-17(24)19(34-4)8-18(16)27-22(25)32(21)29-20;1-12-17(9-24-29(12)11-34(3,31)32)28-6-4-5-13(10-28)19-26-20-14-7-15(22)18(33-2)8-16(14)25-21(23)30(20)27-19;1-12-17(10-29(26-12)11-34(3,31)32)28-6-4-5-13(9-28)19-25-20-14-7-15(22)18(33-2)8-16(14)24-21(23)30(20)27-19/h3*7-9,11,13-14,33H,5-6,10,12H2,1-4H3,(H2,25,27);7-9,13H,4-6,10-11H2,1-3H3,(H2,23,25);7-8,10,13H,4-6,9,11H2,1-3H3,(H2,23,24)/t13-,14+;2*13-,14-;2*13-/m01011/s1
InChIKeyJAEMCVMYXUUJKM-FCBOOBRVSA-N
MW2382.71 g/mol
LogP11.91
Rot. Bonds25
About 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 158857040) has the molecular formula C111H137F5N40O12S2 and a molecular weight of 2382.71 g/mol. Its IUPAC name is 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
Molecular Properties
| Compound Name | 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine |
|---|---|
| PubChem CID | 158857040 |
| Molecular Formula | C111H137F5N40O12S2 |
| Molecular Weight | 2382.71 g/mol |
| Exact Mass | 2381.07 |
| IUPAC Name | 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine |
| SMILES | COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CS(C)(=O)=O)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CS(C)(=O)=O)c5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F |
| InChI | InChI=1S/3C23H29FN8O2.2C21H25FN8O3S/c3*1-13-5-6-14(10-30(13)15-9-26-31(11-15)23(2,3)12-33)20-28-21-16-7-17(24)19(34-4)8-18(16)27-22(25)32(21)29-20;1-12-17(9-24-29(12)11-34(3,31)32)28-6-4-5-13(10-28)19-26-20-14-7-15(22)18(33-2)8-16(14)25-21(23)30(20)27-19;1-12-17(10-29(26-12)11-34(3,31)32)28-6-4-5-13(9-28)19-25-20-14-7-15(22)18(33-2)8-16(14)24-21(23)30(20)27-19/h3*7-9,11,13-14,33H,5-6,10,12H2,1-4H3,(H2,25,27);7-9,13H,4-6,10-11H2,1-3H3,(H2,23,25);7-8,10,13H,4-6,9,11H2,1-3H3,(H2,23,24)/t13-,14+;2*13-,14-;2*13-/m01011/s1 |
| InChIKey | JAEMCVMYXUUJKM-FCBOOBRVSA-N |
| XLogP | 11.91 |
| TPSA | 625.92 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 170 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2382.71 |
| LogP ≤ 5 | 11.91 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 52 |
Frequently Asked Questions
What is the IUPAC name of 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 158857040) is 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CS(C)(=O)=O)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CS(C)(=O)=O)c5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@H](C)N(c5cnn(C(C)(C)CO)c5)C4)nc3c2cc1F.
What is the InChIKey of 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is JAEMCVMYXUUJKM-FCBOOBRVSA-N. The full InChI is InChI=1S/3C23H29FN8O2.2C21H25FN8O3S/c3*1-13-5-6-14(10-30(13)15-9-26-31(11-15)23(2,3)12-33)20-28-21-16-7-17(24)19(34-4)8-18(16)27-22(25)32(21)29-20;1-12-17(9-24-29(12)11-34(3,31)32)28-6-4-5-13(10-28)19-26-20-14-7-15(22)18(33-2)8-16(14)25-21(23)30(20)27-19;1-12-17(10-29(26-12)11-34(3,31)32)28-6-4-5-13(9-28)19-25-20-14-7-15(22)18(33-2)8-16(14)24-21(23)30(20)27-19/h3*7-9,11,13-14,33H,5-6,10,12H2,1-4H3,(H2,25,27);7-9,13H,4-6,10-11H2,1-3H3,(H2,23,25);7-8,10,13H,4-6,9,11H2,1-3H3,(H2,23,24)/t13-,14+;2*13-,14-;2*13-/m01011/s1.
What are the key properties of 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 2382.71 g/mol, XLogP of 11.91, 25 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,5S)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(2R,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol;9-fluoro-8-methoxy-2-[(3R)-1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-fluoro-8-methoxy-2-[(3R)-1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 158857040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158857040 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.