4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C84H90Br4F7N9O2S2Si2 — CID 159735470

About 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 159735470) has the molecular formula C84H90Br4F7N9O2S2Si2 and a molecular weight of 1830.61 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 159735470
• Molecular Formula: C84H90Br4F7N9O2S2Si2
• Molecular Weight: 1830.61 g/mol
• Exact Mass: 1825.28
• IUPAC Name: 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)cc(F)cc21.Cc1c(F)cc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1c(F)cc2[nH]ccc2c1Br.Cc1c(F)cc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Br.Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Fc1cc(Br)c2cc[nH]c2c1
• InChI: InChI=1S/C20H15F2N3OS.C18H27BrFNSi.C17H25BrFNSi.C12H11FN2OS.C9H7BrFN.C8H5BrFN/c1-9-13(21)8-16-11(4-5-23-16)18(9)10-2-3-15-17(6-10)27-20(24-15)25-19(26)12-7-14(12)22;1-11(2)22(12(3)4,13(5)6)21-9-8-15-17(21)10-16(20)14(7)18(15)19;1-11(2)21(12(3)4,13(5)6)20-8-7-15-16(18)9-14(19)10-17(15)20;1-6-2-3-9-10(4-6)17-12(14-9)15-11(16)7-5-8(7)13;1-5-7(11)4-8-6(9(5)10)2-3-12-8;9-7-3-5(10)4-8-6(7)1-2-11-8/h2-6,8,12,14,23H,7H2,1H3,(H,24,25,26);8-13H,1-7H3;7-13H,1-6H3;2-4,7-8H,5H2,1H3,(H,14,15,16);2-4,12H,1H3;1-4,11H/t12-,14+;;;7-,8+;;/m1..1../s1
• InChIKey: NBTZPXLQLYMKNJ-CFKIOHIISA-N
• XLogP: 27.98
• TPSA: 141.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.61
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 159735470) is 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)cc(F)cc21.Cc1c(F)cc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1c(F)cc2[nH]ccc2c1Br.Cc1c(F)cc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Br.Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Fc1cc(Br)c2cc[nH]c2c1.

What is the InChIKey of 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?

The InChIKey is NBTZPXLQLYMKNJ-CFKIOHIISA-N. The full InChI is InChI=1S/C20H15F2N3OS.C18H27BrFNSi.C17H25BrFNSi.C12H11FN2OS.C9H7BrFN.C8H5BrFN/c1-9-13(21)8-16-11(4-5-23-16)18(9)10-2-3-15-17(6-10)27-20(24-15)25-19(26)12-7-14(12)22;1-11(2)22(12(3)4,13(5)6)21-9-8-15-17(21)10-16(20)14(7)18(15)19;1-11(2)21(12(3)4,13(5)6)20-8-7-15-16(18)9-14(19)10-17(15)20;1-6-2-3-9-10(4-6)17-12(14-9)15-11(16)7-5-8(7)13;1-5-7(11)4-8-6(9(5)10)2-3-12-8;9-7-3-5(10)4-8-6(7)1-2-11-8/h2-6,8,12,14,23H,7H2,1H3,(H,24,25,26);8-13H,1-7H3;7-13H,1-6H3;2-4,7-8H,5H2,1H3,(H,14,15,16);2-4,12H,1H3;1-4,11H/t12-,14+;;;7-,8+;;/m1..1../s1.

What are the key properties of 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?

4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 1830.61 g/mol, XLogP of 27.98, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-fluoro-1H-indole;(4-bromo-6-fluoroindol-1-yl)-tri(propan-2-yl)silane;4-bromo-6-fluoro-5-methyl-1H-indole;(4-bromo-6-fluoro-5-methylindol-1-yl)-tri(propan-2-yl)silane;cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methyl-1H-indol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159735470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).