1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol

C114H135F9N40O10 — CID 158266135

IUPAC1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@@H](C)C(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F
InChIInChI=1S/C24H31FN8O2.2C23H26F2N8O2.2C22H26F2N8O2/c1-13-6-7-15(11-31(13)16-10-27-32(12-16)14(2)24(3,4)34)21-29-22-17-8-18(25)20(35-5)9-19(17)28-23(26)33(22)30-21;2*1-35-19-7-18-16(6-17(19)25)21-29-20(30-33(21)22(26)28-18)13-5-14(24)10-31(9-13)15-8-27-32(11-15)12-23(34)3-2-4-23;2*1-22(2,33)11-31-10-14(7-26-31)30-8-12(4-13(23)9-30)19-28-20-15-5-16(24)18(34-3)6-17(15)27-21(25)32(20)29-19/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28);2*6-8,11,13-14,34H,2-5,9-10,12H2,1H3,(H2,26,28);2*5-7,10,12-13,33H,4,8-9,11H2,1-3H3,(H2,25,27)/t13-,14+,15+;2*13-,14+;2*12-,13+/m11010/s1
InChIKeyGILPUCVGUQTBEX-UZRDIULSSA-N
MW2396.59 g/mol
LogP12.82
Rot. Bonds25

About 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol

1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol (PubChem CID 158266135) has the molecular formula C114H135F9N40O10 and a molecular weight of 2396.59 g/mol. Its IUPAC name is 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol
PubChem CID158266135
Molecular FormulaC114H135F9N40O10
Molecular Weight2396.59 g/mol
Exact Mass2395.11
IUPAC Name1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@@H](C)C(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F
InChIInChI=1S/C24H31FN8O2.2C23H26F2N8O2.2C22H26F2N8O2/c1-13-6-7-15(11-31(13)16-10-27-32(12-16)14(2)24(3,4)34)21-29-22-17-8-18(25)20(35-5)9-19(17)28-23(26)33(22)30-21;2*1-35-19-7-18-16(6-17(19)25)21-29-20(30-33(21)22(26)28-18)13-5-14(24)10-31(9-13)15-8-27-32(11-15)12-23(34)3-2-4-23;2*1-22(2,33)11-31-10-14(7-26-31)30-8-12(4-13(23)9-30)19-28-20-15-5-16(24)18(34-3)6-17(15)27-21(25)32(20)29-19/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28);2*6-8,11,13-14,34H,2-5,9-10,12H2,1H3,(H2,26,28);2*5-7,10,12-13,33H,4,8-9,11H2,1-3H3,(H2,25,27)/t13-,14+,15+;2*13-,14+;2*12-,13+/m11010/s1
InChIKeyGILPUCVGUQTBEX-UZRDIULSSA-N
XLogP12.82
TPSA598.10 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds25
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.59
LogP ≤ 512.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol with MolForge

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Related Compounds

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US11312719, Example 236
CID 146650494
US11312719, Example 109
CID 146650716
US11312719, Example 135
CID 146650720
US11312719, Example 19
CID 146650736
US11312719, Example 96
CID 146650749
US11312719, Example 11
CID 146650983
US11312719, Example 126
CID 146651014
US11312719, Example 161
CID 146651024
US11312719, Example 250
CID 146651029
US11312719, Example 66
CID 146651163
US11312719, Example 208
CID 146651172

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol?
The IUPAC name of 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol (CID 158266135) is 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol.
What is the SMILES notation for 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol?
The canonical SMILES for 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol is COc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@@H](C)C(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@@H](F)CN(c5cnn(CC6(O)CCC6)c5)C4)nc3c2cc1F.
What is the InChIKey of 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol?
The InChIKey is GILPUCVGUQTBEX-UZRDIULSSA-N. The full InChI is InChI=1S/C24H31FN8O2.2C23H26F2N8O2.2C22H26F2N8O2/c1-13-6-7-15(11-31(13)16-10-27-32(12-16)14(2)24(3,4)34)21-29-22-17-8-18(25)20(35-5)9-19(17)28-23(26)33(22)30-21;2*1-35-19-7-18-16(6-17(19)25)21-29-20(30-33(21)22(26)28-18)13-5-14(24)10-31(9-13)15-8-27-32(11-15)12-23(34)3-2-4-23;2*1-22(2,33)11-31-10-14(7-26-31)30-8-12(4-13(23)9-30)19-28-20-15-5-16(24)18(34-3)6-17(15)27-21(25)32(20)29-19/h8-10,12-15,34H,6-7,11H2,1-5H3,(H2,26,28);2*6-8,11,13-14,34H,2-5,9-10,12H2,1H3,(H2,26,28);2*5-7,10,12-13,33H,4,8-9,11H2,1-3H3,(H2,25,27)/t13-,14+,15+;2*13-,14+;2*12-,13+/m11010/s1.
What are the key properties of 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol?
1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol has a molecular weight of 2396.59 g/mol, XLogP of 12.82, 25 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol;1-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3S)-3-[4-[(2R,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-methylbutan-2-ol is sourced from PubChem (CID 158266135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).