ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate

C29H29ClN6O3 — CID 153431003

About ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate

ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate (PubChem CID 153431003) has the molecular formula C29H29ClN6O3 and a molecular weight of 545.04 g/mol. Its IUPAC name is ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate
• PubChem CID: 153431003
• Molecular Formula: C29H29ClN6O3
• Molecular Weight: 545.04 g/mol
• Exact Mass: 544.20
• IUPAC Name: ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate
• SMILES: CCOC(=O)CCc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)CCc1ncn2ccc(Cl)cc12
• InChI: InChI=1S/C29H29ClN6O3/c1-2-39-29(38)10-7-24-23(27(37)8-6-25-26-13-21(30)11-12-34(26)18-31-25)17-36(33-24)16-22-15-35-14-20(19-3-4-19)5-9-28(35)32-22/h5,9,11-15,17-19H,2-4,6-8,10,16H2,1H3
• InChIKey: IPKOUYOBCDYACI-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 95.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.04
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate?

The IUPAC name of ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate (CID 153431003) is ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate.

What is the SMILES notation for ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate?

The canonical SMILES for ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate is CCOC(=O)CCc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)CCc1ncn2ccc(Cl)cc12.

What is the InChIKey of ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate?

The InChIKey is IPKOUYOBCDYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN6O3/c1-2-39-29(38)10-7-24-23(27(37)8-6-25-26-13-21(30)11-12-34(26)18-31-25)17-36(33-24)16-22-15-35-14-20(19-3-4-19)5-9-28(35)32-22/h5,9,11-15,17-19H,2-4,6-8,10,16H2,1H3.

What are the key properties of ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate?

ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate has a molecular weight of 545.04 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoate is sourced from PubChem (CID 153431003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).