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

C25H22ClF2N7O — CID 161367710

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

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (PubChem CID 161367710) has the molecular formula C25H22ClF2N7O and a molecular weight of 509.95 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-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-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• PubChem CID: 161367710
• Molecular Formula: C25H22ClF2N7O
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.15
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one
• SMILES: CC(F)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C25H22ClF2N7O/c1-14(27)18-8-16(15-2-3-15)9-34-10-17(30-25(18)34)11-35-12-21(31-32-35)22(36)5-4-20-24-23(28)19(26)6-7-33(24)13-29-20/h6-10,12-15H,2-5,11H2,1H3
• InChIKey: WHNHICIOFSPONW-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 82.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-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-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one (CID 161367710) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-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-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-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-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is CC(F)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

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

The InChIKey is WHNHICIOFSPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N7O/c1-14(27)18-8-16(15-2-3-15)9-34-10-17(30-25(18)34)11-35-12-21(31-32-35)22(36)5-4-20-24-23(28)19(26)6-7-33(24)13-29-20/h6-10,12-15H,2-5,11H2,1H3.

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

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one has a molecular weight of 509.95 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 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-cyclopropyl-8-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 161367710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).