6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline

C24H23F2N9 — CID 59320351

IUPAC6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline
SMILESCc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1
InChIInChI=1S/C24H23F2N9/c1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33/h4-5,10-15H,2-3,6-9H2,1H3
InChIKeyUHRNYVKKBIAUHA-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.48
Rot. Bonds6

About 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline

6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline (PubChem CID 59320351) has the molecular formula C24H23F2N9 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline
PubChem CID59320351
Molecular FormulaC24H23F2N9
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline
SMILESCc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1
InChIInChI=1S/C24H23F2N9/c1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33/h4-5,10-15H,2-3,6-9H2,1H3
InChIKeyUHRNYVKKBIAUHA-UHFFFAOYSA-N
XLogP3.48
TPSA89.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline 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-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline?
The IUPAC name of 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline (CID 59320351) is 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline.
What is the SMILES notation for 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline?
The canonical SMILES for 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline is Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1.
What is the InChIKey of 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline?
The InChIKey is UHRNYVKKBIAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N9/c1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33/h4-5,10-15H,2-3,6-9H2,1H3.
What are the key properties of 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline?
6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline has a molecular weight of 475.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline is sourced from PubChem (CID 59320351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).