[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C25H22F5N5O — CID 146480301

About [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146480301) has the molecular formula C25H22F5N5O and a molecular weight of 503.48 g/mol. Its IUPAC name is [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• PubChem CID: 146480301
• Molecular Formula: C25H22F5N5O
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.17
• IUPAC Name: [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• SMILES: CCC1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CC(C)N1C(=O)c1c(C(F)F)nc2ccccn12
• InChI: InChI=1S/C25H22F5N5O/c1-4-17-20-14(22(33(3)32-20)13-10-15(26)19(28)16(27)11-13)9-12(2)35(17)25(36)23-21(24(29)30)31-18-7-5-6-8-34(18)23/h5-8,10-12,17,24H,4,9H2,1-3H3
• InChIKey: FDYXKACAPCRWGI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 55.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146480301) is [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

What is the SMILES notation for [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The canonical SMILES for [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is CCC1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CC(C)N1C(=O)c1c(C(F)F)nc2ccccn12.

What is the InChIKey of [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The InChIKey is FDYXKACAPCRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F5N5O/c1-4-17-20-14(22(33(3)32-20)13-10-15(26)19(28)16(27)11-13)9-12(2)35(17)25(36)23-21(24(29)30)31-18-7-5-6-8-34(18)23/h5-8,10-12,17,24H,4,9H2,1-3H3.

What are the key properties of [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 503.48 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146480301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).