1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

C24H24N6O2 — CID 124993546

About 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 124993546) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
• PubChem CID: 124993546
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
• SMILES: Nc1ncc(-c2cccc([C@@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1
• InChI: InChI=1S/C24H24N6O2/c25-24-27-13-17(14-28-24)19-6-3-7-21(29-19)22-15-30(10-11-32-22)23(31)9-8-16-12-26-20-5-2-1-4-18(16)20/h1-7,12-14,22,26H,8-11,15H2,(H2,25,27,28)/t22-/m0/s1
• InChIKey: PYLRKVVCFONJEW-QFIPXVFZSA-N
• XLogP: 3.13
• TPSA: 110.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?

The IUPAC name of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one (CID 124993546) is 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one.

What is the SMILES notation for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?

The canonical SMILES for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one is Nc1ncc(-c2cccc([C@@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1.

What is the InChIKey of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?

The InChIKey is PYLRKVVCFONJEW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N6O2/c25-24-27-13-17(14-28-24)19-6-3-7-21(29-19)22-15-30(10-11-32-22)23(31)9-8-16-12-26-20-5-2-1-4-18(16)20/h1-7,12-14,22,26H,8-11,15H2,(H2,25,27,28)/t22-/m0/s1.

What are the key properties of 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?

1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 124993546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).