7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile

C18H11ClF3N7O — CID 163275959

About 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile

7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile (PubChem CID 163275959) has the molecular formula C18H11ClF3N7O and a molecular weight of 433.78 g/mol. Its IUPAC name is 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile
• PubChem CID: 163275959
• Molecular Formula: C18H11ClF3N7O
• Molecular Weight: 433.78 g/mol
• Exact Mass: 433.07
• IUPAC Name: 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile
• SMILES: N#Cc1nn(CCn2ccc(C(F)(F)F)n2)c2c(Oc3ncc(Cl)cn3)cccc12
• InChI: InChI=1S/C18H11ClF3N7O/c19-11-9-24-17(25-10-11)30-14-3-1-2-12-13(8-23)26-29(16(12)14)7-6-28-5-4-15(27-28)18(20,21)22/h1-5,9-10H,6-7H2
• InChIKey: PHKHDYBJWBTDOO-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 94.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.78
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile?

The IUPAC name of 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile (CID 163275959) is 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile.

What is the SMILES notation for 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile?

The canonical SMILES for 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile is N#Cc1nn(CCn2ccc(C(F)(F)F)n2)c2c(Oc3ncc(Cl)cn3)cccc12.

What is the InChIKey of 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile?

The InChIKey is PHKHDYBJWBTDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N7O/c19-11-9-24-17(25-10-11)30-14-3-1-2-12-13(8-23)26-29(16(12)14)7-6-28-5-4-15(27-28)18(20,21)22/h1-5,9-10H,6-7H2.

What are the key properties of 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile?

7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile has a molecular weight of 433.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-chloropyrimidin-2-yl)oxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]indazole-3-carbonitrile is sourced from PubChem (CID 163275959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).