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

C23H23FN6O — CID 90147268

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

6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 90147268) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
• PubChem CID: 90147268
• Molecular Formula: C23H23FN6O
• Molecular Weight: 418.48 g/mol
• Exact Mass: 418.19
• IUPAC Name: 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
• SMILES: Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(C4CCC4)n3)ccc2[nH]1
• InChI: InChI=1S/C23H23FN6O/c1-12-9-15-16(25-12)7-8-19(22(15)24)31-23-26-17(13-3-2-4-13)10-20(28-23)27-21-11-18(29-30-21)14-5-6-14/h7-11,13-14,25H,2-6H2,1H3,(H2,26,27,28,29,30)
• InChIKey: XXIQNINWPOXCGV-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.48
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 90147268) is 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

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

The canonical SMILES for 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(C4CCC4)n3)ccc2[nH]1.

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

The InChIKey is XXIQNINWPOXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-12-9-15-16(25-12)7-8-19(22(15)24)31-23-26-17(13-3-2-4-13)10-20(28-23)27-21-11-18(29-30-21)14-5-6-14/h7-11,13-14,25H,2-6H2,1H3,(H2,26,27,28,29,30).

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

6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 418.48 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclobutyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 90147268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).