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

C24H20ClN5OS — CID 153431054

IUPAC3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1
InChIInChI=1S/C24H20ClN5OS/c25-17-7-8-29-14-27-19(20(29)9-17)4-5-21(31)22-11-26-24(32-22)10-18-13-30-12-16(15-1-2-15)3-6-23(30)28-18/h3,6-9,11-15H,1-2,4-5,10H2
InChIKeyAQQIMWCJMCBHJS-UHFFFAOYSA-N
MW461.98 g/mol
LogP5.38
Rot. Bonds7

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

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one (PubChem CID 153431054) has the molecular formula C24H20ClN5OS and a molecular weight of 461.98 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one
PubChem CID153431054
Molecular FormulaC24H20ClN5OS
Molecular Weight461.98 g/mol
Exact Mass461.11
IUPAC Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1
InChIInChI=1S/C24H20ClN5OS/c25-17-7-8-29-14-27-19(20(29)9-17)4-5-21(31)22-11-26-24(32-22)10-18-13-30-12-16(15-1-2-15)3-6-23(30)28-18/h3,6-9,11-15H,1-2,4-5,10H2
InChIKeyAQQIMWCJMCBHJS-UHFFFAOYSA-N
XLogP5.38
TPSA64.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.98
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one (CID 153431054) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1.
What is the InChIKey of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is AQQIMWCJMCBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5OS/c25-17-7-8-29-14-27-19(20(29)9-17)4-5-21(31)22-11-26-24(32-22)10-18-13-30-12-16(15-1-2-15)3-6-23(30)28-18/h3,6-9,11-15H,1-2,4-5,10H2.
What are the key properties of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one?
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 461.98 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 153431054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).