1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide

C157H153ClF2N16O18 — CID 159358857

About 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide

1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 159358857) has the molecular formula C157H153ClF2N16O18 and a molecular weight of 2625.49 g/mol. Its IUPAC name is 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide
• PubChem CID: 159358857
• Molecular Formula: C157H153ClF2N16O18
• Molecular Weight: 2625.49 g/mol
• Exact Mass: 2623.12
• IUPAC Name: 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide
• SMILES: CC(C)C(=O)Cc1ccc(-c2nc3ccccc3o2)cn1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccccc32)cc1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)c(Cl)n1.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)cn2C.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)nn2C.CC(C)C(=O)Cc1ccc2c(c1)cc(-c1nc3ccccc3o1)n2C.COc1cc(CC(=O)C(C)C)ccc1-c1nc2cc(F)ccc2o1.COc1cc(CC(=O)C(C)C)ccc1-c1nc2cc(F)ccc2o1
• InChI: InChI=1S/2C21H20N2O2.C20H20ClN3O2.C20H19N3O2.C20H22N2O2.2C19H18FNO3.C17H16N2O2/c1-13(2)19(24)11-14-8-9-18-15(10-14)16(12-23(18)3)21-22-17-6-4-5-7-20(17)25-21;1-13(2)19(24)11-14-8-9-17-15(10-14)12-18(23(17)3)21-22-16-6-4-5-7-20(16)25-21;1-12(2)18(25)11-14-8-9-15(19(21)22-14)23-20(26)17-10-13-6-4-5-7-16(13)24(17)3;1-12(2)17(24)11-13-8-9-16-14(10-13)19(22-23(16)3)20-21-15-6-4-5-7-18(15)25-20;1-14(2)19(23)13-15-7-9-17(10-8-15)21-20(24)22-12-11-16-5-3-4-6-18(16)22;2*1-11(2)16(22)8-12-4-6-14(18(9-12)23-3)19-21-15-10-13(20)5-7-17(15)24-19;1-11(2)15(20)9-13-8-7-12(10-18-13)17-19-14-5-3-4-6-16(14)21-17/h2*4-10,12-13H,11H2,1-3H3;4-10,12H,11H2,1-3H3,(H,23,26);4-10,12H,11H2,1-3H3;3-10,14H,11-13H2,1-2H3,(H,21,24);2*4-7,9-11H,8H2,1-3H3;3-8,10-11H,9H2,1-2H3
• InChIKey: LIGSCRNOXMANGT-UHFFFAOYSA-N
• XLogP: 34.43
• TPSA: 431.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.49
LogP ≤ 5	34.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The IUPAC name of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 159358857) is 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(C)C(=O)Cc1ccc(-c2nc3ccccc3o2)cn1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccccc32)cc1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)c(Cl)n1.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)cn2C.CC(C)C(=O)Cc1ccc2c(c1)c(-c1nc3ccccc3o1)nn2C.CC(C)C(=O)Cc1ccc2c(c1)cc(-c1nc3ccccc3o1)n2C.COc1cc(CC(=O)C(C)C)ccc1-c1nc2cc(F)ccc2o1.COc1cc(CC(=O)C(C)C)ccc1-c1nc2cc(F)ccc2o1.

What is the InChIKey of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The InChIKey is LIGSCRNOXMANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N2O2.C20H20ClN3O2.C20H19N3O2.C20H22N2O2.2C19H18FNO3.C17H16N2O2/c1-13(2)19(24)11-14-8-9-18-15(10-14)16(12-23(18)3)21-22-17-6-4-5-7-20(17)25-21;1-13(2)19(24)11-14-8-9-17-15(10-14)12-18(23(17)3)21-22-16-6-4-5-7-20(16)25-21;1-12(2)18(25)11-14-8-9-15(19(21)22-14)23-20(26)17-10-13-6-4-5-7-16(13)24(17)3;1-12(2)17(24)11-13-8-9-16-14(10-13)19(22-23(16)3)20-21-15-6-4-5-7-18(15)25-20;1-14(2)19(23)13-15-7-9-17(10-8-15)21-20(24)22-12-11-16-5-3-4-6-18(16)22;2*1-11(2)16(22)8-12-4-6-14(18(9-12)23-3)19-21-15-10-13(20)5-7-17(15)24-19;1-11(2)15(20)9-13-8-7-12(10-18-13)17-19-14-5-3-4-6-16(14)21-17/h2*4-10,12-13H,11H2,1-3H3;4-10,12H,11H2,1-3H3,(H,23,26);4-10,12H,11H2,1-3H3;3-10,14H,11-13H2,1-2H3,(H,21,24);2*4-7,9-11H,8H2,1-3H3;3-8,10-11H,9H2,1-2H3.

What are the key properties of 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide?

1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 2625.49 g/mol, XLogP of 34.43, 35 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1,3-benzoxazol-2-yl)-1-methylindazol-5-yl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[3-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;1-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-methylbutan-2-one;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]-1-methylindole-2-carboxamide;bis(1-[4-(5-fluoro-1,3-benzoxazol-2-yl)-3-methoxyphenyl]-3-methylbutan-2-one);N-[4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 159358857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).