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

C25H21ClF2N6O — CID 153431001

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

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one (PubChem CID 153431001) has the molecular formula C25H21ClF2N6O and a molecular weight of 494.93 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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one
• PubChem CID: 153431001
• Molecular Formula: C25H21ClF2N6O
• Molecular Weight: 494.93 g/mol
• Exact Mass: 494.14
• IUPAC Name: 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
• InChI: InChI=1S/C25H21ClF2N6O/c26-17-7-8-32-14-29-20(21(32)9-17)4-5-22(35)19-13-34(31-24(19)25(27)28)12-18-11-33-10-16(15-1-2-15)3-6-23(33)30-18/h3,6-11,13-15,25H,1-2,4-5,12H2
• InChIKey: JMVVUJAKNXCYTN-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 69.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.93
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one?

The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one (CID 153431001) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one.

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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one?

The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F.

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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one?

The InChIKey is JMVVUJAKNXCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O/c26-17-7-8-32-14-29-20(21(32)9-17)4-5-22(35)19-13-34(31-24(19)25(27)28)12-18-11-33-10-16(15-1-2-15)3-6-23(33)30-18/h3,6-11,13-15,25H,1-2,4-5,12H2.

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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one?

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 494.93 g/mol, XLogP of 5.51, 8 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]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 153431001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).