1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine

C20H19FN6O — CID 175820319

About 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine

1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine (PubChem CID 175820319) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine.

Molecular Properties

• Compound Name: 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine
• PubChem CID: 175820319
• Molecular Formula: C20H19FN6O
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.16
• IUPAC Name: 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine
• SMILES: COc1c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)ccc2c1C(N)(F)CC2
• InChI: InChI=1S/C20H19FN6O/c1-27-10-12(8-24-27)18-14-7-15(23-9-16(14)25-26-18)13-4-3-11-5-6-20(21,22)17(11)19(13)28-2/h3-4,7-10H,5-6,22H2,1-2H3,(H,25,26)
• InChIKey: FMXNDTRFCDHVBN-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine?

The IUPAC name of 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine (CID 175820319) is 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine.

What is the SMILES notation for 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine?

The canonical SMILES for 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine is COc1c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)ccc2c1C(N)(F)CC2.

What is the InChIKey of 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine?

The InChIKey is FMXNDTRFCDHVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-27-10-12(8-24-27)18-14-7-15(23-9-16(14)25-26-18)13-4-3-11-5-6-20(21,22)17(11)19(13)28-2/h3-4,7-10H,5-6,22H2,1-2H3,(H,25,26).

What are the key properties of 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine?

1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine has a molecular weight of 378.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-7-methoxy-6-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 175820319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).