6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C20H19FN6O — CID 90147116

About 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 90147116) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 90147116
• Molecular Formula: C20H19FN6O
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.16
• IUPAC Name: 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: Cc1cc(Nc2cc(C3CC3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
• InChI: InChI=1S/C20H19FN6O/c1-10-7-13-14(22-10)5-6-16(19(13)21)28-20-23-15(12-3-4-12)9-17(25-20)24-18-8-11(2)26-27-18/h5-9,12,22H,3-4H2,1-2H3,(H2,23,24,25,26,27)
• InChIKey: IAVWNCHCANMOJV-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 90147116) is 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(C3CC3)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1.

What is the InChIKey of 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is IAVWNCHCANMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-10-7-13-14(22-10)5-6-16(19(13)21)28-20-23-15(12-3-4-12)9-17(25-20)24-18-8-11(2)26-27-18/h5-9,12,22H,3-4H2,1-2H3,(H2,23,24,25,26,27).

What are the key properties of 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90147116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).