2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

C24H26F3N5O4 — CID 137028967

About 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137028967) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

• Compound Name: 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
• PubChem CID: 137028967
• Molecular Formula: C24H26F3N5O4
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
• SMILES: CCCOCCOc1ncc(-c2cc(C)c3c(O)n(-c4cnn(CC(F)(F)F)c4)cc3n2)cc1OC
• InChI: InChI=1S/C24H26F3N5O4/c1-4-5-35-6-7-36-22-20(34-3)9-16(10-28-22)18-8-15(2)21-19(30-18)13-32(23(21)33)17-11-29-31(12-17)14-24(25,26)27/h8-13,33H,4-7,14H2,1-3H3
• InChIKey: ARISYFQKOZKUKJ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 96.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The IUPAC name of 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137028967) is 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

What is the SMILES notation for 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The canonical SMILES for 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is CCCOCCOc1ncc(-c2cc(C)c3c(O)n(-c4cnn(CC(F)(F)F)c4)cc3n2)cc1OC.

What is the InChIKey of 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

The InChIKey is ARISYFQKOZKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-4-5-35-6-7-36-22-20(34-3)9-16(10-28-22)18-8-15(2)21-19(30-18)13-32(23(21)33)17-11-29-31(12-17)14-24(25,26)27/h8-13,33H,4-7,14H2,1-3H3.

What are the key properties of 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?

2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 505.50 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137028967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).