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

C22H17ClFN7O2 — CID 139488401

IUPACN-[(7-chloro-8-fluoroimidazo[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)c(F)c12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C22H17ClFN7O2/c23-15-5-6-30-11-26-16(20(30)19(15)24)8-25-21(32)22-29-28-18(33-22)7-14-10-31-9-13(12-1-2-12)3-4-17(31)27-14/h3-6,9-12H,1-2,7-8H2,(H,25,32)
InChIKeyLDCSBVKDBYGMHO-UHFFFAOYSA-N
MW465.88 g/mol
LogP3.56
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[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-chloro-8-fluoroimidazo[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 139488401) has the molecular formula C22H17ClFN7O2 and a molecular weight of 465.88 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[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-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID139488401
Molecular FormulaC22H17ClFN7O2
Molecular Weight465.88 g/mol
Exact Mass465.11
IUPAC NameN-[(7-chloro-8-fluoroimidazo[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)c(F)c12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C22H17ClFN7O2/c23-15-5-6-30-11-26-16(20(30)19(15)24)8-25-21(32)22-29-28-18(33-22)7-14-10-31-9-13(12-1-2-12)3-4-17(31)27-14/h3-6,9-12H,1-2,7-8H2,(H,25,32)
InChIKeyLDCSBVKDBYGMHO-UHFFFAOYSA-N
XLogP3.56
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-a]pyridin-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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139488401) is N-[(7-chloro-8-fluoroimidazo[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-chloro-8-fluoroimidazo[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-chloro-8-fluoroimidazo[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)c(F)c12)c1nnc(Cc2cn3cc(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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LDCSBVKDBYGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN7O2/c23-15-5-6-30-11-26-16(20(30)19(15)24)8-25-21(32)22-29-28-18(33-22)7-14-10-31-9-13(12-1-2-12)3-4-17(31)27-14/h3-6,9-12H,1-2,7-8H2,(H,25,32).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[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-chloro-8-fluoroimidazo[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 465.88 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139488401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).