(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C22H18F3N5O — CID 146515745

About (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146515745) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• PubChem CID: 146515745
• Molecular Formula: C22H18F3N5O
• Molecular Weight: 425.41 g/mol
• Exact Mass: 425.15
• IUPAC Name: (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• SMILES: Cc1cccc2ncc(C(=O)N3CCc4c(nn(C)c4-c4cc(F)c(F)c(F)c4)C3)n12
• InChI: InChI=1S/C22H18F3N5O/c1-12-4-3-5-19-26-10-18(30(12)19)22(31)29-7-6-14-17(11-29)27-28(2)21(14)13-8-15(23)20(25)16(24)9-13/h3-5,8-10H,6-7,11H2,1-2H3
• InChIKey: CONUZOCOJPKGPF-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 55.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.41
LogP ≤ 5	3.66
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 (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146515745) is (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

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

The canonical SMILES for (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is Cc1cccc2ncc(C(=O)N3CCc4c(nn(C)c4-c4cc(F)c(F)c(F)c4)C3)n12.

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

The InChIKey is CONUZOCOJPKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-12-4-3-5-19-26-10-18(30(12)19)22(31)29-7-6-14-17(11-29)27-28(2)21(14)13-8-15(23)20(25)16(24)9-13/h3-5,8-10H,6-7,11H2,1-2H3.

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

(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 425.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146515745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).