4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

C22H17FN4O3 — CID 156850751

About 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156850751) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

• Compound Name: 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
• PubChem CID: 156850751
• Molecular Formula: C22H17FN4O3
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.13
• IUPAC Name: 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
• SMILES: Cc1ncc(-c2nn(CO)c3ccc(OC4CCc5c4ccc(C#N)c5F)cc23)o1
• InChI: InChI=1S/C22H17FN4O3/c1-12-25-10-20(29-12)22-17-8-14(3-6-18(17)27(11-28)26-22)30-19-7-5-16-15(19)4-2-13(9-24)21(16)23/h2-4,6,8,10,19,28H,5,7,11H2,1H3
• InChIKey: NCCFPXJOGSWOKK-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 97.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The IUPAC name of 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 156850751) is 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile.

What is the SMILES notation for 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The canonical SMILES for 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is Cc1ncc(-c2nn(CO)c3ccc(OC4CCc5c4ccc(C#N)c5F)cc23)o1.

What is the InChIKey of 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The InChIKey is NCCFPXJOGSWOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-12-25-10-20(29-12)22-17-8-14(3-6-18(17)27(11-28)26-22)30-19-7-5-16-15(19)4-2-13(9-24)21(16)23/h2-4,6,8,10,19,28H,5,7,11H2,1H3.

What are the key properties of 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 404.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156850751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).