[6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone

C27H26F2N6O2S — CID 170521176

About [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone

[6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone (PubChem CID 170521176) has the molecular formula C27H26F2N6O2S and a molecular weight of 536.61 g/mol. Its IUPAC name is [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

• Compound Name: [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone
• PubChem CID: 170521176
• Molecular Formula: C27H26F2N6O2S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.18
• IUPAC Name: [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone
• SMILES: Cn1nc(-c2ncsc2F)cc1C(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C27H26F2N6O2S/c1-27(2,30)15-8-19(14-4-6-16(28)7-5-14)32-22(9-15)37-24-17-11-35(12-18(17)24)26(36)21-10-20(33-34(21)3)23-25(29)38-13-31-23/h4-10,13,17-18,24H,11-12,30H2,1-3H3
• InChIKey: UZSSHPVKTNTZAA-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 99.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone?

The IUPAC name of [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone (CID 170521176) is [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone.

What is the SMILES notation for [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone?

The canonical SMILES for [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone is Cn1nc(-c2ncsc2F)cc1C(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(-c2ccc(F)cc2)n1.

What is the InChIKey of [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone?

The InChIKey is UZSSHPVKTNTZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O2S/c1-27(2,30)15-8-19(14-4-6-16(28)7-5-14)32-22(9-15)37-24-17-11-35(12-18(17)24)26(36)21-10-20(33-34(21)3)23-25(29)38-13-31-23/h4-10,13,17-18,24H,11-12,30H2,1-3H3.

What are the key properties of [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone?

[6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 536.61 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(5-fluoro-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 170521176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).