3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one

C22H18ClFN8O — CID 158866880

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one (PubChem CID 158866880) has the molecular formula C22H18ClFN8O and a molecular weight of 464.89 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one
• PubChem CID: 158866880
• Molecular Formula: C22H18ClFN8O
• Molecular Weight: 464.89 g/mol
• Exact Mass: 464.13
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ncc(C4CC4)cn3n2)nn1
• InChI: InChI=1S/C22H18ClFN8O/c23-16-5-6-30-12-26-17(22(30)21(16)24)3-4-19(33)18-11-31(29-27-18)10-15-7-20-25-8-14(13-1-2-13)9-32(20)28-15/h5-9,11-13H,1-4,10H2
• InChIKey: LIYVVWMQFMAXCH-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 95.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.89
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one?

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one (CID 158866880) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one.

What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one?

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3ncc(C4CC4)cn3n2)nn1.

What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one?

The InChIKey is LIYVVWMQFMAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN8O/c23-16-5-6-30-12-26-17(22(30)21(16)24)3-4-19(33)18-11-31(29-27-18)10-15-7-20-25-8-14(13-1-2-13)9-32(20)28-15/h5-9,11-13H,1-4,10H2.

What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one?

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one has a molecular weight of 464.89 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 158866880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).