ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

C23H35F4N5O — CID 144866228

About ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 144866228) has the molecular formula C23H35F4N5O and a molecular weight of 473.56 g/mol. Its IUPAC name is ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 144866228
• Molecular Formula: C23H35F4N5O
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.28
• IUPAC Name: ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1.CC1CCC(N2CC(F)C2)C1
• InChI: InChI=1S/C12H13F3N4O.C9H16FN.C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-7-2-3-9(4-7)11-5-8(10)6-11;1-2/h3-7H,1-2H3,(H2,16,17);7-9H,2-6H2,1H3;1-2H3
• InChIKey: CEPJWXAJULRFJW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 69.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (CID 144866228) is ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1.CC1CCC(N2CC(F)C2)C1.

What is the InChIKey of ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is CEPJWXAJULRFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O.C9H16FN.C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-7-2-3-9(4-7)11-5-8(10)6-11;1-2/h3-7H,1-2H3,(H2,16,17);7-9H,2-6H2,1H3;1-2H3.

What are the key properties of ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 473.56 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 144866228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).