3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

C24H24N6O2 — CID 124973725

About 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124973725) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 124973725
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1
• InChI: InChI=1S/C24H24N6O2/c31-23(10-9-17-15-27-19-6-2-1-5-18(17)19)30-13-14-32-21(16-30)20-7-3-8-22(28-20)29-24-25-11-4-12-26-24/h1-8,11-12,15,21,27H,9-10,13-14,16H2,(H,25,26,28,29)/t21-/m1/s1
• InChIKey: KMAJFPUVVPKJHR-OAQYLSRUSA-N
• XLogP: 3.63
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124973725) is 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1.

What is the InChIKey of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The InChIKey is KMAJFPUVVPKJHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23(10-9-17-15-27-19-6-2-1-5-18(17)19)30-13-14-32-21(16-30)20-7-3-8-22(28-20)29-24-25-11-4-12-26-24/h1-8,11-12,15,21,27H,9-10,13-14,16H2,(H,25,26,28,29)/t21-/m1/s1.

What are the key properties of 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124973725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).