acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole

C24H26F2N8O2 — CID 171652658

IUPACacetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole
SMILESC#C.C[C@H]1CC[C@@H](c2nc3c4cc(F)cc(F)c4nc(N)n3n2)CN1C(=O)C1CC1.Cc1ncon1
InChIInChI=1S/C19H20F2N6O.C3H4N2O.C2H2/c1-9-2-3-11(8-26(9)18(28)10-4-5-10)16-24-17-13-6-12(20)7-14(21)15(13)23-19(22)27(17)25-16;1-3-4-2-6-5-3;1-2/h6-7,9-11H,2-5,8H2,1H3,(H2,22,23);2H,1H3;1-2H/t9-,11+;;/m0../s1
InChIKeyXDYLALGGMBHGPF-NAUXGDFUSA-N
MW496.52 g/mol
LogP3.27
Rot. Bonds2

About acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole

acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole (PubChem CID 171652658) has the molecular formula C24H26F2N8O2 and a molecular weight of 496.52 g/mol. Its IUPAC name is acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameacetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole
PubChem CID171652658
Molecular FormulaC24H26F2N8O2
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC Nameacetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole
SMILESC#C.C[C@H]1CC[C@@H](c2nc3c4cc(F)cc(F)c4nc(N)n3n2)CN1C(=O)C1CC1.Cc1ncon1
InChIInChI=1S/C19H20F2N6O.C3H4N2O.C2H2/c1-9-2-3-11(8-26(9)18(28)10-4-5-10)16-24-17-13-6-12(20)7-14(21)15(13)23-19(22)27(17)25-16;1-3-4-2-6-5-3;1-2/h6-7,9-11H,2-5,8H2,1H3,(H2,22,23);2H,1H3;1-2H/t9-,11+;;/m0../s1
InChIKeyXDYLALGGMBHGPF-NAUXGDFUSA-N
XLogP3.27
TPSA128.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(2-amino-5-fluoro-3-pyridinyl)methanone
CID 171653113
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(6-amino-3-pyridinyl)methanone
CID 171652358
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 171652376
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-[5-(2-hydroxypropan-2-yl)-4-methyl-2-pyridinyl]methanone
CID 171652858
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-[5-(aminomethyl)-2-pyridinyl]methanone;difluoromethane
CID 171652870
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(1-ethylimidazol-2-yl)methanone
CID 171652797
(Z)-2-amino-1-[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-4-methyliminobut-2-en-1-one
CID 171653094
[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-(1-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 171652411
(Z)-2-amino-1-[(2S)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-4-ethyliminobut-2-en-1-one
CID 171652647
[3-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-(5-methylthiadiazol-4-yl)methanone
CID 171652987
[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 171652451
(2R,3R)-3-[4-[(3R)-3-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol
CID 146650750

Frequently Asked Questions

What is the IUPAC name of acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole?
The IUPAC name of acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole (CID 171652658) is acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole?
The canonical SMILES for acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole is C#C.C[C@H]1CC[C@@H](c2nc3c4cc(F)cc(F)c4nc(N)n3n2)CN1C(=O)C1CC1.Cc1ncon1.
What is the InChIKey of acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole?
The InChIKey is XDYLALGGMBHGPF-NAUXGDFUSA-N. The full InChI is InChI=1S/C19H20F2N6O.C3H4N2O.C2H2/c1-9-2-3-11(8-26(9)18(28)10-4-5-10)16-24-17-13-6-12(20)7-14(21)15(13)23-19(22)27(17)25-16;1-3-4-2-6-5-3;1-2/h6-7,9-11H,2-5,8H2,1H3,(H2,22,23);2H,1H3;1-2H/t9-,11+;;/m0../s1.
What are the key properties of acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole?
acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole has a molecular weight of 496.52 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[(2S,5R)-5-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-cyclopropylmethanone;3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 171652658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).