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

C23H16ClFN8O2 — CID 139487744

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1cc(C2CC2)cn2cc(Cc3nnc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)o3)nc12
InChIInChI=1S/C23H16ClFN8O2/c24-16-3-4-32-11-28-17(20(32)19(16)25)8-27-22(34)23-31-30-18(35-23)6-15-10-33-9-14(12-1-2-12)5-13(7-26)21(33)29-15/h3-5,9-12H,1-2,6,8H2,(H,27,34)
InChIKeySKZNVADWTQUTDR-UHFFFAOYSA-N
MW490.89 g/mol
LogP3.43
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 139487744) has the molecular formula C23H16ClFN8O2 and a molecular weight of 490.89 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID139487744
Molecular FormulaC23H16ClFN8O2
Molecular Weight490.89 g/mol
Exact Mass490.11
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1cc(C2CC2)cn2cc(Cc3nnc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)o3)nc12
InChIInChI=1S/C23H16ClFN8O2/c24-16-3-4-32-11-28-17(20(32)19(16)25)8-27-22(34)23-31-30-18(35-23)6-15-10-33-9-14(12-1-2-12)5-13(7-26)21(33)29-15/h3-5,9-12H,1-2,6,8H2,(H,27,34)
InChIKeySKZNVADWTQUTDR-UHFFFAOYSA-N
XLogP3.43
TPSA126.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[(8-cyano-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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487744) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-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-[(8-cyano-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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is N#Cc1cc(C2CC2)cn2cc(Cc3nnc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)o3)nc12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is SKZNVADWTQUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN8O2/c24-16-3-4-32-11-28-17(20(32)19(16)25)8-27-22(34)23-31-30-18(35-23)6-15-10-33-9-14(12-1-2-12)5-13(7-26)21(33)29-15/h3-5,9-12H,1-2,6,8H2,(H,27,34).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 490.89 g/mol, XLogP of 3.43, 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-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139487744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).