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

C21H17ClN8O2 — CID 139487756

IUPACN-[(7-chloroimidazo[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)cc12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
InChIInChI=1S/C21H17ClN8O2/c22-13-5-6-29-11-24-16(17(29)7-13)9-23-20(31)21-27-26-19(32-21)8-14-10-30-18(25-14)4-3-15(28-30)12-1-2-12/h3-7,10-12H,1-2,8-9H2,(H,23,31)
InChIKeyKQDOPSGLZSCHJQ-UHFFFAOYSA-N
MW448.87 g/mol
LogP2.81
Rot. Bonds6

About N-[(7-chloroimidazo[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-chloroimidazo[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 139487756) has the molecular formula C21H17ClN8O2 and a molecular weight of 448.87 g/mol. Its IUPAC name is N-[(7-chloroimidazo[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-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID139487756
Molecular FormulaC21H17ClN8O2
Molecular Weight448.87 g/mol
Exact Mass448.12
IUPAC NameN-[(7-chloroimidazo[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)cc12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
InChIInChI=1S/C21H17ClN8O2/c22-13-5-6-29-11-24-16(17(29)7-13)9-23-20(31)21-27-26-19(32-21)8-14-10-30-18(25-14)4-3-15(28-30)12-1-2-12/h3-7,10-12H,1-2,8-9H2,(H,23,31)
InChIKeyKQDOPSGLZSCHJQ-UHFFFAOYSA-N
XLogP2.81
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[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-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487756) is N-[(7-chloroimidazo[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-chloroimidazo[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-chloroimidazo[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)cc12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.
What is the InChIKey of N-[(7-chloroimidazo[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 KQDOPSGLZSCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN8O2/c22-13-5-6-29-11-24-16(17(29)7-13)9-23-20(31)21-27-26-19(32-21)8-14-10-30-18(25-14)4-3-15(28-30)12-1-2-12/h3-7,10-12H,1-2,8-9H2,(H,23,31).
What are the key properties of N-[(7-chloroimidazo[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-chloroimidazo[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 448.87 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[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 139487756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).