N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C21H16ClFN8O2 — CID 139487757

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
InChIInChI=1S/C21H16ClFN8O2/c22-13-5-6-30-10-25-15(19(30)18(13)23)8-24-20(32)21-28-27-17(33-21)7-12-9-31-16(26-12)4-3-14(29-31)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,24,32)
InChIKeyYEYKHGAVIMFEBR-UHFFFAOYSA-N
MW466.86 g/mol
LogP2.95
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 139487757) has the molecular formula C21H16ClFN8O2 and a molecular weight of 466.86 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID139487757
Molecular FormulaC21H16ClFN8O2
Molecular Weight466.86 g/mol
Exact Mass466.11
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
InChIInChI=1S/C21H16ClFN8O2/c22-13-5-6-30-10-25-15(19(30)18(13)23)8-24-20(32)21-28-27-17(33-21)7-12-9-31-16(26-12)4-3-14(29-31)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,24,32)
InChIKeyYEYKHGAVIMFEBR-UHFFFAOYSA-N
XLogP2.95
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide 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 N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487757) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YEYKHGAVIMFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN8O2/c22-13-5-6-30-10-25-15(19(30)18(13)23)8-24-20(32)21-28-27-17(33-21)7-12-9-31-16(26-12)4-3-14(29-31)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,24,32).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 466.86 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139487757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).