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-hydroxyphenyl)ethanone

C28H28FN5O4 — CID 170188705

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-hydroxyphenyl)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-hydroxyphenyl)ethanone (PubChem CID 170188705) has the molecular formula C28H28FN5O4 and a molecular weight of 517.56 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-hydroxyphenyl)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-hydroxyphenyl)ethanone
• PubChem CID: 170188705
• Molecular Formula: C28H28FN5O4
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.21
• 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-hydroxyphenyl)ethanone
• SMILES: Cc1nn(CCO)c(C)c1-c1cnc(N)c(Oc2ccc3c(c2)CCN3C(=O)Cc2cc(O)ccc2F)c1
• InChI: InChI=1S/C28H28FN5O4/c1-16-27(17(2)34(32-16)9-10-35)20-13-25(28(30)31-15-20)38-22-4-6-24-18(12-22)7-8-33(24)26(37)14-19-11-21(36)3-5-23(19)29/h3-6,11-13,15,35-36H,7-10,14H2,1-2H3,(H2,30,31)
• InChIKey: ZROFLRWQJHBLKG-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 126.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.56
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-hydroxyphenyl)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-hydroxyphenyl)ethanone (CID 170188705) 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-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)ethanone is Cc1nn(CCO)c(C)c1-c1cnc(N)c(Oc2ccc3c(c2)CCN3C(=O)Cc2cc(O)ccc2F)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-hydroxyphenyl)ethanone?

The InChIKey is ZROFLRWQJHBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O4/c1-16-27(17(2)34(32-16)9-10-35)20-13-25(28(30)31-15-20)38-22-4-6-24-18(12-22)7-8-33(24)26(37)14-19-11-21(36)3-5-23(19)29/h3-6,11-13,15,35-36H,7-10,14H2,1-2H3,(H2,30,31).

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-hydroxyphenyl)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-hydroxyphenyl)ethanone has a molecular weight of 517.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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-hydroxyphenyl)ethanone is sourced from PubChem (CID 170188705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).