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

C24H21ClN6S — CID 159005925

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

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione (PubChem CID 159005925) has the molecular formula C24H21ClN6S and a molecular weight of 460.99 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione.

Molecular Properties

• Compound Name: 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione
• PubChem CID: 159005925
• Molecular Formula: C24H21ClN6S
• Molecular Weight: 460.99 g/mol
• Exact Mass: 460.12
• IUPAC Name: 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione
• SMILES: S=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C24H21ClN6S/c25-19-7-8-29-15-26-21(22(29)9-19)4-5-23(32)18-10-27-31(12-18)14-20-13-30-11-17(16-1-2-16)3-6-24(30)28-20/h3,6-13,15-16H,1-2,4-5,14H2
• InChIKey: UBAIDTLCYUGFOW-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 52.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.99
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione (CID 159005925) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione.

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

The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione is S=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.

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

The InChIKey is UBAIDTLCYUGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6S/c25-19-7-8-29-15-26-21(22(29)9-19)4-5-23(32)18-10-27-31(12-18)14-20-13-30-11-17(16-1-2-16)3-6-24(30)28-20/h3,6-13,15-16H,1-2,4-5,14H2.

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

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione has a molecular weight of 460.99 g/mol, XLogP of 5.11, 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-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propane-1-thione is sourced from PubChem (CID 159005925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).