(7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile

C18H12N6O2 — CID 156850822

About (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile

(7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile (PubChem CID 156850822) has the molecular formula C18H12N6O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile
• PubChem CID: 156850822
• Molecular Formula: C18H12N6O2
• Molecular Weight: 344.33 g/mol
• Exact Mass: 344.10
• IUPAC Name: (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile
• SMILES: N#Cc1cc2c(nn1)[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
• InChI: InChI=1S/C18H12N6O2/c19-7-11-5-10-1-4-15(17(10)23-21-11)26-12-2-3-14-13(6-12)18(24-22-14)16-8-20-9-25-16/h2-3,5-6,8-9,15H,1,4H2,(H,22,24)/t15-/m1/s1
• InChIKey: PITFYUTZRAYZQV-OAHLLOKOSA-N
• XLogP: 2.95
• TPSA: 113.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.33
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile?

The IUPAC name of (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile (CID 156850822) is (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile.

What is the SMILES notation for (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile?

The canonical SMILES for (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile is N#Cc1cc2c(nn1)[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2.

What is the InChIKey of (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile?

The InChIKey is PITFYUTZRAYZQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H12N6O2/c19-7-11-5-10-1-4-15(17(10)23-21-11)26-12-2-3-14-13(6-12)18(24-22-14)16-8-20-9-25-16/h2-3,5-6,8-9,15H,1,4H2,(H,22,24)/t15-/m1/s1.

What are the key properties of (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile?

(7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile has a molecular weight of 344.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile is sourced from PubChem (CID 156850822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).