8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C23H17F3N4O2 — CID 172753120

IUPAC8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1C(F)(F)F)CCCC2Oc1ccc2cnn(C3=CC(=O)CC3)c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)21-14(10-27)11-28-22-18(21)2-1-3-20(22)32-17-7-4-13-12-29-30(19(13)9-17)15-5-6-16(31)8-15/h4,7-9,11-12,20H,1-3,5-6H2
InChIKeyKQNNZZGKNOKYHC-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.98
Rot. Bonds3

About 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 172753120) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID172753120
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1C(F)(F)F)CCCC2Oc1ccc2cnn(C3=CC(=O)CC3)c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)21-14(10-27)11-28-22-18(21)2-1-3-20(22)32-17-7-4-13-12-29-30(19(13)9-17)15-5-6-16(31)8-15/h4,7-9,11-12,20H,1-3,5-6H2
InChIKeyKQNNZZGKNOKYHC-UHFFFAOYSA-N
XLogP4.98
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-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 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 172753120) is 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cnc2c(c1C(F)(F)F)CCCC2Oc1ccc2cnn(C3=CC(=O)CC3)c2c1.
What is the InChIKey of 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KQNNZZGKNOKYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)21-14(10-27)11-28-22-18(21)2-1-3-20(22)32-17-7-4-13-12-29-30(19(13)9-17)15-5-6-16(31)8-15/h4,7-9,11-12,20H,1-3,5-6H2.
What are the key properties of 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 438.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 172753120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).