6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C22H19F3N4O2 — CID 146516327

About 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146516327) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• PubChem CID: 146516327
• Molecular Formula: C22H19F3N4O2
• Molecular Weight: 428.41 g/mol
• Exact Mass: 428.15
• IUPAC Name: 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• SMILES: Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3c1CCOC3)C2
• InChI: InChI=1S/C22H19F3N4O2/c1-28-21(12-8-16(23)20(25)17(24)9-12)15-3-6-29(10-18(15)27-28)22(30)14-2-5-26-19-11-31-7-4-13(14)19/h2,5,8-9H,3-4,6-7,10-11H2,1H3
• InChIKey: OIYRKWVUMNXOBW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.41
LogP ≤ 5	3.17
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 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146516327) is 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-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 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The canonical SMILES for 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3c1CCOC3)C2.

What is the InChIKey of 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The InChIKey is OIYRKWVUMNXOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-28-21(12-8-16(23)20(25)17(24)9-12)15-3-6-29(10-18(15)27-28)22(30)14-2-5-26-19-11-31-7-4-13(14)19/h2,5,8-9H,3-4,6-7,10-11H2,1H3.

What are the key properties of 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-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 428.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-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 146516327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).