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

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 Name2-[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 CID158857040
Molecular FormulaC111H137F5N40O12S2
Molecular Weight2382.71 g/mol
Exact Mass2381.07
IUPAC Name2-[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
XLogP11.91
TPSA625.92 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.71
LogP ≤ 511.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11312719, Example 126
CID 146651014
US11312719, Example 131
CID 146651094
US11312719, Example 129
CID 146651097
US11312719, Example 132
CID 156246705
US11312719, Example 130
CID 164607503
2-[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-methylpropan-1-ol
CID 146651186
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
CID 146651187
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
CID 146651193
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
CID 153600890
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 156246641
9-Fluoro-8-methoxy-2-[1-[5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 156246642
9-Fluoro-8-methoxy-2-[1-[3-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 156246691

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).