1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol

C118H149F7N40O10 — CID 158071689

IUPAC1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCC(F)Oc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CCC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.Cc1nn(CC(C)(C)O)cc1N1CCC[C@@H](c2nc3c4cc(F)c(OC(C)F)cc4nc(N)n3n2)C1
InChIInChI=1S/C24H30F2N8O2.2C24H31FN8O2.C23H28F2N8O2.C23H29FN8O2/c1-13-19(11-33(30-13)12-24(3,4)35)32-7-5-6-15(10-32)21-29-22-16-8-17(26)20(36-14(2)25)9-18(16)28-23(27)34(22)31-21;2*1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)24(3,4)12-34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21;1-13(24)35-19-8-18-16(7-17(19)25)21-29-20(30-33(21)22(26)28-18)14-5-4-6-31(10-14)15-9-27-32(11-15)12-23(2,3)34;1-23(2,33)6-8-31-13-15(11-26-31)30-7-4-5-14(12-30)20-28-21-16-9-17(24)19(34-3)10-18(16)27-22(25)32(21)29-20/h8-9,11,14-15,35H,5-7,10,12H2,1-4H3,(H2,27,28);2*7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27);7-9,11,13-14,34H,4-6,10,12H2,1-3H3,(H2,26,28);9-11,13-14,33H,4-8,12H2,1-3H3,(H2,25,27)/t14?,15-;2*13-,15-;13?,14-;14-/m11011/s1
InChIKeyFLWWIGGHRBRIEO-LIKHMCCGSA-N
MW2420.75 g/mol
LogP14.89
Rot. Bonds28

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

1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol (PubChem CID 158071689) has the molecular formula C118H149F7N40O10 and a molecular weight of 2420.75 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol
PubChem CID158071689
Molecular FormulaC118H149F7N40O10
Molecular Weight2420.75 g/mol
Exact Mass2419.23
IUPAC Name1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCC(F)Oc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CCC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.Cc1nn(CC(C)(C)O)cc1N1CCC[C@@H](c2nc3c4cc(F)c(OC(C)F)cc4nc(N)n3n2)C1
InChIInChI=1S/C24H30F2N8O2.2C24H31FN8O2.C23H28F2N8O2.C23H29FN8O2/c1-13-19(11-33(30-13)12-24(3,4)35)32-7-5-6-15(10-32)21-29-22-16-8-17(26)20(36-14(2)25)9-18(16)28-23(27)34(22)31-21;2*1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)24(3,4)12-34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21;1-13(24)35-19-8-18-16(7-17(19)25)21-29-20(30-33(21)22(26)28-18)14-5-4-6-31(10-14)15-9-27-32(11-15)12-23(2,3)34;1-23(2,33)6-8-31-13-15(11-26-31)30-7-4-5-14(12-30)20-28-21-16-9-17(24)19(34-3)10-18(16)27-22(25)32(21)29-20/h8-9,11,14-15,35H,5-7,10,12H2,1-4H3,(H2,27,28);2*7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27);7-9,11,13-14,34H,4-6,10,12H2,1-3H3,(H2,26,28);9-11,13-14,33H,4-8,12H2,1-3H3,(H2,25,27)/t14?,15-;2*13-,15-;13?,14-;14-/m11011/s1
InChIKeyFLWWIGGHRBRIEO-LIKHMCCGSA-N
XLogP14.89
TPSA598.10 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds28
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002420.75
LogP ≤ 514.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

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

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Related Compounds

US11312719, Example 21
CID 146650441
US11312719, Example 140
CID 146650486
US11312719, Example 236
CID 146650494
US11312719, Example 109
CID 146650716
US11312719, Example 135
CID 146650720
US11312719, Example 18
CID 146650735
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol (CID 158071689) is 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol is CC(F)Oc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cnn(CCC(C)(C)O)c5)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@@H]4C[C@@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.COc1cc2nc(N)n3nc([C@H]4C[C@H](C)CN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.Cc1nn(CC(C)(C)O)cc1N1CCC[C@@H](c2nc3c4cc(F)c(OC(C)F)cc4nc(N)n3n2)C1.
What is the InChIKey of 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is FLWWIGGHRBRIEO-LIKHMCCGSA-N. The full InChI is InChI=1S/C24H30F2N8O2.2C24H31FN8O2.C23H28F2N8O2.C23H29FN8O2/c1-13-19(11-33(30-13)12-24(3,4)35)32-7-5-6-15(10-32)21-29-22-16-8-17(26)20(36-14(2)25)9-18(16)28-23(27)34(22)31-21;2*1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)24(3,4)12-34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21;1-13(24)35-19-8-18-16(7-17(19)25)21-29-20(30-33(21)22(26)28-18)14-5-4-6-31(10-14)15-9-27-32(11-15)12-23(2,3)34;1-23(2,33)6-8-31-13-15(11-26-31)30-7-4-5-14(12-30)20-28-21-16-9-17(24)19(34-3)10-18(16)27-22(25)32(21)29-20/h8-9,11,14-15,35H,5-7,10,12H2,1-4H3,(H2,27,28);2*7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27);7-9,11,13-14,34H,4-6,10,12H2,1-3H3,(H2,26,28);9-11,13-14,33H,4-8,12H2,1-3H3,(H2,25,27)/t14?,15-;2*13-,15-;13?,14-;14-/m11011/s1.
What are the key properties of 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol?
1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 2420.75 g/mol, XLogP of 14.89, 28 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[(3R)-3-[5-amino-9-fluoro-8-(1-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[(3S,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[(3R,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol;4-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 158071689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).