8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline

C24H19ClF2N6O — CID 164870525

IUPAC8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3Cl)cc2[nH]1
InChIInChI=1S/C24H19ClF2N6O/c1-13-30-17-3-2-16(6-19(17)31-13)34-21-5-4-18-23(22(21)25)32-20(10-28-18)15-9-29-33(12-15)11-14-7-24(26,27)8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,30,31)
InChIKeyLUMYYAWSZINPIG-UHFFFAOYSA-N
MW480.91 g/mol
LogP6.17
Rot. Bonds5

About 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline

8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline (PubChem CID 164870525) has the molecular formula C24H19ClF2N6O and a molecular weight of 480.91 g/mol. Its IUPAC name is 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline.

Molecular Properties

Compound Name8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
PubChem CID164870525
Molecular FormulaC24H19ClF2N6O
Molecular Weight480.91 g/mol
Exact Mass480.13
IUPAC Name8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3Cl)cc2[nH]1
InChIInChI=1S/C24H19ClF2N6O/c1-13-30-17-3-2-16(6-19(17)31-13)34-21-5-4-18-23(22(21)25)32-20(10-28-18)15-9-29-33(12-15)11-14-7-24(26,27)8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,30,31)
InChIKeyLUMYYAWSZINPIG-UHFFFAOYSA-N
XLogP6.17
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline 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-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline?
The IUPAC name of 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline (CID 164870525) is 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline.
What is the SMILES notation for 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline?
The canonical SMILES for 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3Cl)cc2[nH]1.
What is the InChIKey of 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline?
The InChIKey is LUMYYAWSZINPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N6O/c1-13-30-17-3-2-16(6-19(17)31-13)34-21-5-4-18-23(22(21)25)32-20(10-28-18)15-9-29-33(12-15)11-14-7-24(26,27)8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,30,31).
What are the key properties of 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline?
8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline has a molecular weight of 480.91 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxaline is sourced from PubChem (CID 164870525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).