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

C23H19ClN6OS — CID 139487746

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1
InChIInChI=1S/C23H19ClN6OS/c24-16-5-6-29-13-27-18(19(29)7-16)9-26-23(31)20-10-25-22(32-20)8-17-12-30-11-15(14-1-2-14)3-4-21(30)28-17/h3-7,10-14H,1-2,8-9H2,(H,26,31)
InChIKeyVTKXCXJDWRUNQV-UHFFFAOYSA-N
MW462.97 g/mol
LogP4.49
Rot. Bonds6

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 139487746) has the molecular formula C23H19ClN6OS and a molecular weight of 462.97 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID139487746
Molecular FormulaC23H19ClN6OS
Molecular Weight462.97 g/mol
Exact Mass462.10
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1
InChIInChI=1S/C23H19ClN6OS/c24-16-5-6-29-13-27-18(19(29)7-16)9-26-23(31)20-10-25-22(32-20)8-17-12-30-11-15(14-1-2-14)3-4-21(30)28-17/h3-7,10-14H,1-2,8-9H2,(H,26,31)
InChIKeyVTKXCXJDWRUNQV-UHFFFAOYSA-N
XLogP4.49
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 139487746) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cnc(Cc2cn3cc(C4CC4)ccc3n2)s1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VTKXCXJDWRUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6OS/c24-16-5-6-29-13-27-18(19(29)7-16)9-26-23(31)20-10-25-22(32-20)8-17-12-30-11-15(14-1-2-14)3-4-21(30)28-17/h3-7,10-14H,1-2,8-9H2,(H,26,31).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 462.97 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139487746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).