1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone

C29H30FN5O3 — CID 170188697

About 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone

1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone (PubChem CID 170188697) has the molecular formula C29H30FN5O3 and a molecular weight of 515.59 g/mol. Its IUPAC name is 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone
• PubChem CID: 170188697
• Molecular Formula: C29H30FN5O3
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.23
• IUPAC Name: 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone
• SMILES: Cc1ccc(F)c(CC(=O)N2CCc3cc(Oc4cc(-c5c(C)nn(CCO)c5C)cnc4N)ccc32)c1
• InChI: InChI=1S/C29H30FN5O3/c1-17-4-6-24(30)21(12-17)15-27(37)34-9-8-20-13-23(5-7-25(20)34)38-26-14-22(16-32-29(26)31)28-18(2)33-35(10-11-36)19(28)3/h4-7,12-14,16,36H,8-11,15H2,1-3H3,(H2,31,32)
• InChIKey: ZAPKHFGOWHTFDU-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 106.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone?

The IUPAC name of 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone (CID 170188697) is 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone.

What is the SMILES notation for 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone?

The canonical SMILES for 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone is Cc1ccc(F)c(CC(=O)N2CCc3cc(Oc4cc(-c5c(C)nn(CCO)c5C)cnc4N)ccc32)c1.

What is the InChIKey of 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone?

The InChIKey is ZAPKHFGOWHTFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O3/c1-17-4-6-24(30)21(12-17)15-27(37)34-9-8-20-13-23(5-7-25(20)34)38-26-14-22(16-32-29(26)31)28-18(2)33-35(10-11-36)19(28)3/h4-7,12-14,16,36H,8-11,15H2,1-3H3,(H2,31,32).

What are the key properties of 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone?

1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone has a molecular weight of 515.59 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[2-amino-5-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-(2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 170188697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).