(6-cyclopropyl-2-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

C25H22F3N5O — CID 146515970

About (6-cyclopropyl-2-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

(6-cyclopropyl-2-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 146515970) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is (6-cyclopropyl-2-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: (6-cyclopropyl-2-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: 146515970
• Molecular Formula: C25H22F3N5O
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.18
• IUPAC Name: (6-cyclopropyl-2-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: Cc1nc2ccc(C3CC3)cn2c1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C1
• InChI: InChI=1S/C25H22F3N5O/c1-13-23(33-11-15(14-3-4-14)5-6-21(33)29-13)25(34)32-8-7-17-20(12-32)30-31(2)24(17)16-9-18(26)22(28)19(27)10-16/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3
• InChIKey: CHBQMDWOOZIZSJ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 55.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	4.54
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 (6-cyclopropyl-2-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 (6-cyclopropyl-2-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 146515970) is (6-cyclopropyl-2-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 (6-cyclopropyl-2-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 (6-cyclopropyl-2-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 Cc1nc2ccc(C3CC3)cn2c1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C1.

What is the InChIKey of (6-cyclopropyl-2-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 CHBQMDWOOZIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-13-23(33-11-15(14-3-4-14)5-6-21(33)29-13)25(34)32-8-7-17-20(12-32)30-31(2)24(17)16-9-18(26)22(28)19(27)10-16/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3.

What are the key properties of (6-cyclopropyl-2-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?

(6-cyclopropyl-2-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 465.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-cyclopropyl-2-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 146515970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).