(7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C24H21F3N4O — CID 151436546

About (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

(7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 151436546) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

• Compound Name: (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
• PubChem CID: 151436546
• Molecular Formula: C24H21F3N4O
• Molecular Weight: 438.45 g/mol
• Exact Mass: 438.17
• IUPAC Name: (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
• SMILES: CCc1cnc2ccc(-c3cnn4c3C(=O)C(c3ccc(C(F)(F)F)cc3)C[C@@H]4C)cn12
• InChI: InChI=1S/C24H21F3N4O/c1-3-18-11-28-21-9-6-16(13-30(18)21)20-12-29-31-14(2)10-19(23(32)22(20)31)15-4-7-17(8-5-15)24(25,26)27/h4-9,11-14,19H,3,10H2,1-2H3/t14-,19?/m0/s1
• InChIKey: PDPWBZNUXVCBDQ-KTQQKIMGSA-N
• XLogP: 5.71
• TPSA: 52.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The IUPAC name of (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 151436546) is (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

What is the SMILES notation for (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The canonical SMILES for (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is CCc1cnc2ccc(-c3cnn4c3C(=O)C(c3ccc(C(F)(F)F)cc3)C[C@@H]4C)cn12.

What is the InChIKey of (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The InChIKey is PDPWBZNUXVCBDQ-KTQQKIMGSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-3-18-11-28-21-9-6-16(13-30(18)21)20-12-29-31-14(2)10-19(23(32)22(20)31)15-4-7-17(8-5-15)24(25,26)27/h4-9,11-14,19H,3,10H2,1-2H3/t14-,19?/m0/s1.

What are the key properties of (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

(7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 438.45 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 151436546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).