4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine

C23H20FN9O — CID 67599952

IUPAC4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine
SMILESCc1nnc(-c2c(-c3ccccn3)c(C(C)Nc3ncnc(N)c3N)nc3ccc(F)cc23)o1
InChIInChI=1S/C23H20FN9O/c1-11(30-22-19(25)21(26)28-10-29-22)20-18(16-5-3-4-8-27-16)17(23-33-32-12(2)34-23)14-9-13(24)6-7-15(14)31-20/h3-11H,25H2,1-2H3,(H3,26,28,29,30)
InChIKeyUTULVHMKLZNZHS-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.92
Rot. Bonds5

About 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine

4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine (PubChem CID 67599952) has the molecular formula C23H20FN9O and a molecular weight of 457.47 g/mol. Its IUPAC name is 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine
PubChem CID67599952
Molecular FormulaC23H20FN9O
Molecular Weight457.47 g/mol
Exact Mass457.18
IUPAC Name4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine
SMILESCc1nnc(-c2c(-c3ccccn3)c(C(C)Nc3ncnc(N)c3N)nc3ccc(F)cc23)o1
InChIInChI=1S/C23H20FN9O/c1-11(30-22-19(25)21(26)28-10-29-22)20-18(16-5-3-4-8-27-16)17(23-33-32-12(2)34-23)14-9-13(24)6-7-15(14)31-20/h3-11H,25H2,1-2H3,(H3,26,28,29,30)
InChIKeyUTULVHMKLZNZHS-UHFFFAOYSA-N
XLogP3.92
TPSA154.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine 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 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine (CID 67599952) is 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine is Cc1nnc(-c2c(-c3ccccn3)c(C(C)Nc3ncnc(N)c3N)nc3ccc(F)cc23)o1.
What is the InChIKey of 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine?
The InChIKey is UTULVHMKLZNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN9O/c1-11(30-22-19(25)21(26)28-10-29-22)20-18(16-5-3-4-8-27-16)17(23-33-32-12(2)34-23)14-9-13(24)6-7-15(14)31-20/h3-11H,25H2,1-2H3,(H3,26,28,29,30).
What are the key properties of 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine?
4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine has a molecular weight of 457.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 67599952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).