6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C114H86ClF17N44O9 — CID 159626295

IUPAC6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESC#Cc1cnc(Cc2c(C)nc3nonc3c2N)cc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1Cl.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1OC(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ncc1C(F)(F)F.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)c(N)n1.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C15H10F3N5O.C15H11F2N5O2.C15H11F2N5O.C14H10ClN5O.C14H9F3N6O.C13H13F2N7O.C13H12F2N6O/c1-3-8-6-20-9(5-11(8)15(16,17)18)4-10-7(2)21-14-13(12(10)19)22-24-23-14;1-3-11-10(15(16,17)18)5-4-8(21-11)6-9-7(2)20-14-13(12(9)19)22-24-23-14;1-3-10-11(23-15(16)17)5-4-8(20-10)6-9-7(2)19-14-13(12(9)18)21-24-22-14;1-3-11-9(14(16)17)5-4-8(20-11)6-10-7(2)19-15-13(12(10)18)21-23-22-15;1-3-11-10(15)5-4-8(18-11)6-9-7(2)17-14-13(12(9)16)19-21-20-14;1-3-9-8(14(15,16)17)5-19-10(21-9)4-7-6(2)20-13-12(11(7)18)22-24-23-13;1-5-6(9(16)10-12(19-5)22-23-21-10)3-8-18-4-7(11(17)20-8)13(2,14)15;1-6-8(10(16)11-12(19-6)21-22-20-11)3-9-17-4-7(5-18-9)13(2,14)15/h1,5-6H,4,19H2,2H3;1,4-5H,6,19H2,2H3;1,4-5,15H,6,18H2,2H3;1,4-5,14H,6,18H2,2H3;1,4-5H,6,16H2,2H3;1,5H,4,18H2,2H3;4H,3,16H2,1-2H3,(H2,17,18,20);4-5H,3,16H2,1-2H3
InChIKeyMONNOLYUXXAALU-UHFFFAOYSA-N
MW2574.66 g/mol
LogP17.08
Rot. Bonds21

About 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 159626295) has the molecular formula C114H86ClF17N44O9 and a molecular weight of 2574.66 g/mol. Its IUPAC name is 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID159626295
Molecular FormulaC114H86ClF17N44O9
Molecular Weight2574.66 g/mol
Exact Mass2572.70
IUPAC Name6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESC#Cc1cnc(Cc2c(C)nc3nonc3c2N)cc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1Cl.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1OC(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ncc1C(F)(F)F.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)c(N)n1.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C15H10F3N5O.C15H11F2N5O2.C15H11F2N5O.C14H10ClN5O.C14H9F3N6O.C13H13F2N7O.C13H12F2N6O/c1-3-8-6-20-9(5-11(8)15(16,17)18)4-10-7(2)21-14-13(12(10)19)22-24-23-14;1-3-11-10(15(16,17)18)5-4-8(21-11)6-9-7(2)20-14-13(12(9)19)22-24-23-14;1-3-10-11(23-15(16)17)5-4-8(20-10)6-9-7(2)19-14-13(12(9)18)21-24-22-14;1-3-11-9(14(16)17)5-4-8(20-11)6-10-7(2)19-15-13(12(10)18)21-23-22-15;1-3-11-10(15)5-4-8(18-11)6-9-7(2)17-14-13(12(9)16)19-21-20-14;1-3-9-8(14(15,16)17)5-19-10(21-9)4-7-6(2)20-13-12(11(7)18)22-24-23-13;1-5-6(9(16)10-12(19-5)22-23-21-10)3-8-18-4-7(11(17)20-8)13(2,14)15;1-6-8(10(16)11-12(19-6)21-22-20-11)3-9-17-4-7(5-18-9)13(2,14)15/h1,5-6H,4,19H2,2H3;1,4-5H,6,19H2,2H3;1,4-5,15H,6,18H2,2H3;1,4-5,14H,6,18H2,2H3;1,4-5H,6,16H2,2H3;1,5H,4,18H2,2H3;4H,3,16H2,1-2H3,(H2,17,18,20);4-5H,3,16H2,1-2H3
InChIKeyMONNOLYUXXAALU-UHFFFAOYSA-N
XLogP17.08
TPSA799.68 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds21
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002574.66
LogP ≤ 517.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 159626295) is 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is C#Cc1cnc(Cc2c(C)nc3nonc3c2N)cc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1C(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1Cl.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ccc1OC(F)F.C#Cc1nc(Cc2c(C)nc3nonc3c2N)ncc1C(F)(F)F.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)c(N)n1.Cc1nc2nonc2c(N)c1Cc1ncc(C(C)(F)F)cn1.
What is the InChIKey of 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is MONNOLYUXXAALU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10F3N5O.C15H11F2N5O2.C15H11F2N5O.C14H10ClN5O.C14H9F3N6O.C13H13F2N7O.C13H12F2N6O/c1-3-8-6-20-9(5-11(8)15(16,17)18)4-10-7(2)21-14-13(12(10)19)22-24-23-14;1-3-11-10(15(16,17)18)5-4-8(21-11)6-9-7(2)20-14-13(12(9)19)22-24-23-14;1-3-10-11(23-15(16)17)5-4-8(20-10)6-9-7(2)19-14-13(12(9)18)21-24-22-14;1-3-11-9(14(16)17)5-4-8(20-11)6-10-7(2)19-15-13(12(10)18)21-23-22-15;1-3-11-10(15)5-4-8(18-11)6-9-7(2)17-14-13(12(9)16)19-21-20-14;1-3-9-8(14(15,16)17)5-19-10(21-9)4-7-6(2)20-13-12(11(7)18)22-24-23-13;1-5-6(9(16)10-12(19-5)22-23-21-10)3-8-18-4-7(11(17)20-8)13(2,14)15;1-6-8(10(16)11-12(19-6)21-22-20-11)3-9-17-4-7(5-18-9)13(2,14)15/h1,5-6H,4,19H2,2H3;1,4-5H,6,19H2,2H3;1,4-5,15H,6,18H2,2H3;1,4-5,14H,6,18H2,2H3;1,4-5H,6,16H2,2H3;1,5H,4,18H2,2H3;4H,3,16H2,1-2H3,(H2,17,18,20);4-5H,3,16H2,1-2H3.
What are the key properties of 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 2574.66 g/mol, XLogP of 17.08, 21 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-chloro-6-ethynyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethoxy)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-(difluoromethyl)-6-ethynyl-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[6-ethynyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[4-ethynyl-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 159626295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).