3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one

C23H19ClN6O2 — CID 153431020

IUPAC3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C23H19ClN6O2/c24-16-7-8-29-13-25-18(19(29)9-16)4-5-20(31)23-28-27-22(32-23)10-17-12-30-11-15(14-1-2-14)3-6-21(30)26-17/h3,6-9,11-14H,1-2,4-5,10H2
InChIKeyNCYMKPKHSFKYEU-UHFFFAOYSA-N
MW446.90 g/mol
LogP4.30
Rot. Bonds7

About 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 153431020) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID153431020
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1
InChIInChI=1S/C23H19ClN6O2/c24-16-7-8-29-13-25-18(19(29)9-16)4-5-20(31)23-28-27-22(32-23)10-17-12-30-11-15(14-1-2-14)3-6-21(30)26-17/h3,6-9,11-14H,1-2,4-5,10H2
InChIKeyNCYMKPKHSFKYEU-UHFFFAOYSA-N
XLogP4.30
TPSA90.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one with MolForge

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487276
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
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
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-difluoromethyl]-1,3,4-oxadiazole-2-carboxamide
CID 139488297
N-[(7-chloroimidazo[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 139487371
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
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
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(8-cyano-6-cyclopropylindolizin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 177296682
2-[[5-[3-(7-Bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1,3,4-oxadiazol-2-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
CID 157986028
2-[[2-[[4-[3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde
CID 158535111
3-[2-[[4-[3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxolan-2-one
CID 159266170
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 159830345

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (CID 153431020) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)cc12)c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1.
What is the InChIKey of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is NCYMKPKHSFKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c24-16-7-8-29-13-25-18(19(29)9-16)4-5-20(31)23-28-27-22(32-23)10-17-12-30-11-15(14-1-2-14)3-6-21(30)26-17/h3,6-9,11-14H,1-2,4-5,10H2.
What are the key properties of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 446.90 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 153431020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).