N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide

C30H32FN3O3 — CID 91468221

About N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide

N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide (PubChem CID 91468221) has the molecular formula C30H32FN3O3 and a molecular weight of 501.60 g/mol. Its IUPAC name is N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide
• PubChem CID: 91468221
• Molecular Formula: C30H32FN3O3
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.24
• IUPAC Name: N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide
• SMILES: COc1c(C)cc([C@@H](Oc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[C@H](C)NC(=O)C2(C)CC2)cc1C
• InChI: InChI=1S/C30H32FN3O3/c1-17-14-21(15-18(2)27(17)36-5)28(19(3)32-29(35)30(4)12-13-30)37-23-10-11-25-24(16-23)26(34-33-25)20-6-8-22(31)9-7-20/h6-11,14-16,19,28H,12-13H2,1-5H3,(H,32,35)(H,33,34)/t19-,28-/m0/s1
• InChIKey: SLNGINBRFYGUET-VKGTZQKMSA-N
• XLogP: 6.42
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide?

The IUPAC name of N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide (CID 91468221) is N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide?

The canonical SMILES for N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide is COc1c(C)cc([C@@H](Oc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[C@H](C)NC(=O)C2(C)CC2)cc1C.

What is the InChIKey of N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide?

The InChIKey is SLNGINBRFYGUET-VKGTZQKMSA-N. The full InChI is InChI=1S/C30H32FN3O3/c1-17-14-21(15-18(2)27(17)36-5)28(19(3)32-29(35)30(4)12-13-30)37-23-10-11-25-24(16-23)26(34-33-25)20-6-8-22(31)9-7-20/h6-11,14-16,19,28H,12-13H2,1-5H3,(H,32,35)(H,33,34)/t19-,28-/m0/s1.

What are the key properties of N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide?

N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 91468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).