3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole

C68H45Cl5N30O7 — CID 158436585

IUPAC3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2cc[nH]c12.Cn1ncc2cc(-c3cc(-c4nn[nH]n4)ncn3)cc(Cl)c21.Cn1ncc2cc(-c3cc(-c4noc(=O)[nH]4)ncn3)cc(Cl)c21.O=c1[nH]c(-c2cc(-c3cc(Cl)c4[nH]ccc4c3)ncn2)no1.O=c1[nH]c(-c2cc(C3=CC4CCOC4C(Cl)=C3)ncn2)no1
InChIInChI=1S/C14H9ClN6O2.C14H8ClN5O2.C14H11ClN4O3.C13H9ClN8.C13H8ClN7/c1-21-12-8(5-18-21)2-7(3-9(12)15)10-4-11(17-6-16-10)13-19-14(22)23-20-13;15-9-4-8(3-7-1-2-16-12(7)9)10-5-11(18-6-17-10)13-19-14(21)22-20-13;15-9-4-8(3-7-1-2-21-12(7)9)10-5-11(17-6-16-10)13-18-14(20)22-19-13;1-22-12-8(5-17-22)2-7(3-9(12)14)10-4-11(16-6-15-10)13-18-20-21-19-13;14-9-4-8(3-7-1-2-15-12(7)9)10-5-11(17-6-16-10)13-18-20-21-19-13/h2-6H,1H3,(H,19,20,22);1-6,16H,(H,19,20,21);3-7,12H,1-2H2,(H,18,19,20);2-6H,1H3,(H,18,19,20,21);1-6,15H,(H,18,19,20,21)
InChIKeyHCHMOHJEJZUJOR-UHFFFAOYSA-N
MW1571.58 g/mol
LogP10.72
Rot. Bonds10

About 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole

3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole (PubChem CID 158436585) has the molecular formula C68H45Cl5N30O7 and a molecular weight of 1571.58 g/mol. Its IUPAC name is 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole
PubChem CID158436585
Molecular FormulaC68H45Cl5N30O7
Molecular Weight1571.58 g/mol
Exact Mass1568.25
IUPAC Name3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2cc[nH]c12.Cn1ncc2cc(-c3cc(-c4nn[nH]n4)ncn3)cc(Cl)c21.Cn1ncc2cc(-c3cc(-c4noc(=O)[nH]4)ncn3)cc(Cl)c21.O=c1[nH]c(-c2cc(-c3cc(Cl)c4[nH]ccc4c3)ncn2)no1.O=c1[nH]c(-c2cc(C3=CC4CCOC4C(Cl)=C3)ncn2)no1
InChIInChI=1S/C14H9ClN6O2.C14H8ClN5O2.C14H11ClN4O3.C13H9ClN8.C13H8ClN7/c1-21-12-8(5-18-21)2-7(3-9(12)15)10-4-11(17-6-16-10)13-19-14(22)23-20-13;15-9-4-8(3-7-1-2-16-12(7)9)10-5-11(18-6-17-10)13-19-14(21)22-20-13;15-9-4-8(3-7-1-2-21-12(7)9)10-5-11(17-6-16-10)13-18-14(20)22-19-13;1-22-12-8(5-17-22)2-7(3-9(12)14)10-4-11(16-6-15-10)13-18-20-21-19-13;14-9-4-8(3-7-1-2-15-12(7)9)10-5-11(17-6-16-10)13-18-20-21-19-13/h2-6H,1H3,(H,19,20,22);1-6,16H,(H,19,20,21);3-7,12H,1-2H2,(H,18,19,20);2-6H,1H3,(H,18,19,20,21);1-6,15H,(H,18,19,20,21)
InChIKeyHCHMOHJEJZUJOR-UHFFFAOYSA-N
XLogP10.72
TPSA490.94 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001571.58
LogP ≤ 510.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole?
The IUPAC name of 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole (CID 158436585) is 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole?
The canonical SMILES for 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole is Clc1cc(-c2cc(-c3nn[nH]n3)ncn2)cc2cc[nH]c12.Cn1ncc2cc(-c3cc(-c4nn[nH]n4)ncn3)cc(Cl)c21.Cn1ncc2cc(-c3cc(-c4noc(=O)[nH]4)ncn3)cc(Cl)c21.O=c1[nH]c(-c2cc(-c3cc(Cl)c4[nH]ccc4c3)ncn2)no1.O=c1[nH]c(-c2cc(C3=CC4CCOC4C(Cl)=C3)ncn2)no1.
What is the InChIKey of 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole?
The InChIKey is HCHMOHJEJZUJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6O2.C14H8ClN5O2.C14H11ClN4O3.C13H9ClN8.C13H8ClN7/c1-21-12-8(5-18-21)2-7(3-9(12)15)10-4-11(17-6-16-10)13-19-14(22)23-20-13;15-9-4-8(3-7-1-2-16-12(7)9)10-5-11(18-6-17-10)13-19-14(21)22-20-13;15-9-4-8(3-7-1-2-21-12(7)9)10-5-11(17-6-16-10)13-18-14(20)22-19-13;1-22-12-8(5-17-22)2-7(3-9(12)14)10-4-11(16-6-15-10)13-18-20-21-19-13;14-9-4-8(3-7-1-2-15-12(7)9)10-5-11(17-6-16-10)13-18-20-21-19-13/h2-6H,1H3,(H,19,20,22);1-6,16H,(H,19,20,21);3-7,12H,1-2H2,(H,18,19,20);2-6H,1H3,(H,18,19,20,21);1-6,15H,(H,18,19,20,21).
What are the key properties of 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole?
3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole has a molecular weight of 1571.58 g/mol, XLogP of 10.72, 10 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(7-chloro-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1H-indol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;3-[6-(7-chloro-1-methylindazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-1-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]indazole;7-chloro-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1H-indole is sourced from PubChem (CID 158436585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).