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

C22H18ClN7O2 — CID 139487477

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C22H18ClN7O2/c23-15-5-6-29-12-25-17(18(29)7-15)9-24-21(31)22-28-27-20(32-22)8-16-11-30-10-14(13-1-2-13)3-4-19(30)26-16/h3-7,10-13H,1-2,8-9H2,(H,24,31)
InChIKeyUUBXAWITVKUYKN-UHFFFAOYSA-N
MW447.89 g/mol
LogP3.42
Rot. Bonds6

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 139487477) has the molecular formula C22H18ClN7O2 and a molecular weight of 447.89 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID139487477
Molecular FormulaC22H18ClN7O2
Molecular Weight447.89 g/mol
Exact Mass447.12
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C22H18ClN7O2/c23-15-5-6-29-12-25-17(18(29)7-15)9-24-21(31)22-28-27-20(32-22)8-16-11-30-10-14(13-1-2-13)3-4-19(30)26-16/h3-7,10-13H,1-2,8-9H2,(H,24,31)
InChIKeyUUBXAWITVKUYKN-UHFFFAOYSA-N
XLogP3.42
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-a]pyridin-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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487477) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-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-a]pyridin-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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UUBXAWITVKUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O2/c23-15-5-6-29-12-25-17(18(29)7-15)9-24-21(31)22-28-27-20(32-22)8-16-11-30-10-14(13-1-2-13)3-4-19(30)26-16/h3-7,10-13H,1-2,8-9H2,(H,24,31).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 447.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139487477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).