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

C23H19ClN6O2 — CID 139488191

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cc(Cc2cn3cc(C4CC4)ccc3n2)on1
InChIInChI=1S/C23H19ClN6O2/c24-16-5-6-29-13-26-20(21(29)7-16)10-25-23(31)19-9-18(32-28-19)8-17-12-30-11-15(14-1-2-14)3-4-22(30)27-17/h3-7,9,11-14H,1-2,8,10H2,(H,25,31)
InChIKeyWYBCITHSFXROQY-UHFFFAOYSA-N
MW446.90 g/mol
LogP4.02
Rot. Bonds6

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 139488191) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID139488191
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cc(Cc2cn3cc(C4CC4)ccc3n2)on1
InChIInChI=1S/C23H19ClN6O2/c24-16-5-6-29-13-26-20(21(29)7-16)10-25-23(31)19-9-18(32-28-19)8-17-12-30-11-15(14-1-2-14)3-4-22(30)27-17/h3-7,9,11-14H,1-2,8,10H2,(H,25,31)
InChIKeyWYBCITHSFXROQY-UHFFFAOYSA-N
XLogP4.02
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 139488191) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cc(Cc2cn3cc(C4CC4)ccc3n2)on1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WYBCITHSFXROQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c24-16-5-6-29-13-26-20(21(29)7-16)10-25-23(31)19-9-18(32-28-19)8-17-12-30-11-15(14-1-2-14)3-4-22(30)27-17/h3-7,9,11-14H,1-2,8,10H2,(H,25,31).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 4.02, 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]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).