6-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 163885912

IUPAC6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1ncc(-c2nn(CO)c3ccc(OC4CCc5cc(C#N)c(F)cc54)cc23)o1
InChIInChI=1S/C22H17FN4O3/c1-12-25-10-21(29-12)22-17-7-15(3-4-19(17)27(11-28)26-22)30-20-5-2-13-6-14(9-24)18(23)8-16(13)20/h3-4,6-8,10,20,28H,2,5,11H2,1H3
InChIKeyPXGQXZWIPAGSJB-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.03
Rot. Bonds4

About 6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

6-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 163885912) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-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 Name6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID163885912
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1ncc(-c2nn(CO)c3ccc(OC4CCc5cc(C#N)c(F)cc54)cc23)o1
InChIInChI=1S/C22H17FN4O3/c1-12-25-10-21(29-12)22-17-7-15(3-4-19(17)27(11-28)26-22)30-20-5-2-13-6-14(9-24)18(23)8-16(13)20/h3-4,6-8,10,20,28H,2,5,11H2,1H3
InChIKeyPXGQXZWIPAGSJB-UHFFFAOYSA-N
XLogP4.03
TPSA97.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-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 6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 163885912) is 6-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 6-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 6-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(OC4CCc5cc(C#N)c(F)cc54)cc23)o1.
What is the InChIKey of 6-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 PXGQXZWIPAGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-12-25-10-21(29-12)22-17-7-15(3-4-19(17)27(11-28)26-22)30-20-5-2-13-6-14(9-24)18(23)8-16(13)20/h3-4,6-8,10,20,28H,2,5,11H2,1H3.
What are the key properties of 6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?
6-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 6-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 163885912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).