N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine

C24H20FN5O — CID 70999481

About N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine

N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine (PubChem CID 70999481) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine
• PubChem CID: 70999481
• Molecular Formula: C24H20FN5O
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine
• SMILES: Cc1cc(Nc2nccc(Oc3ccc4c(c3)CCN4c3ccccn3)n2)ccc1F
• InChI: InChI=1S/C24H20FN5O/c1-16-14-18(5-7-20(16)25)28-24-27-12-9-23(29-24)31-19-6-8-21-17(15-19)10-13-30(21)22-4-2-3-11-26-22/h2-9,11-12,14-15H,10,13H2,1H3,(H,27,28,29)
• InChIKey: DFGPCAIBGPKOKS-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine (CID 70999481) is N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine is Cc1cc(Nc2nccc(Oc3ccc4c(c3)CCN4c3ccccn3)n2)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine?

The InChIKey is DFGPCAIBGPKOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-16-14-18(5-7-20(16)25)28-24-27-12-9-23(29-24)31-19-6-8-21-17(15-19)10-13-30(21)22-4-2-3-11-26-22/h2-9,11-12,14-15H,10,13H2,1H3,(H,27,28,29).

What are the key properties of N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine?

N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine has a molecular weight of 413.46 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 70999481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).