6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one

C26H20F4N4O2 — CID 59437262

About 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one

6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one (PubChem CID 59437262) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 59437262
• Molecular Formula: C26H20F4N4O2
• Molecular Weight: 496.46 g/mol
• Exact Mass: 496.15
• IUPAC Name: 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one
• SMILES: C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccn(C)c(=O)c21
• InChI: InChI=1S/C26H20F4N4O2/c1-3-11-33-15-21(20-10-12-32(2)24(35)23(20)33)25(36,26(28,29)30)17-4-9-22-16(13-17)14-31-34(22)19-7-5-18(27)6-8-19/h3-10,12-15,36H,1,11H2,2H3
• InChIKey: LRBAUZXJPFDYPQ-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 64.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.46
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one (CID 59437262) is 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one is C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccn(C)c(=O)c21.

What is the InChIKey of 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is LRBAUZXJPFDYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c1-3-11-33-15-21(20-10-12-32(2)24(35)23(20)33)25(36,26(28,29)30)17-4-9-22-16(13-17)14-31-34(22)19-7-5-18(27)6-8-19/h3-10,12-15,36H,1,11H2,2H3.

What are the key properties of 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one?

6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 496.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-1-prop-2-enyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 59437262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).