3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

C26H27N5O2 — CID 124993957

About 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124993957) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 124993957
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)n1
• InChI: InChI=1S/C26H27N5O2/c1-18-14-20(30-25-8-4-5-11-27-25)15-23(29-18)24-17-31(12-13-33-24)26(32)10-9-19-16-28-22-7-3-2-6-21(19)22/h2-8,11,14-16,24,28H,9-10,12-13,17H2,1H3,(H,27,29,30)/t24-/m0/s1
• InChIKey: QBMNEFNOJXWZPR-DEOSSOPVSA-N
• XLogP: 4.54
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124993957) is 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

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

The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)n1.

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

The InChIKey is QBMNEFNOJXWZPR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-14-20(30-25-8-4-5-11-27-25)15-23(29-18)24-17-31(12-13-33-24)26(32)10-9-19-16-28-22-7-3-2-6-21(19)22/h2-8,11,14-16,24,28H,9-10,12-13,17H2,1H3,(H,27,29,30)/t24-/m0/s1.

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

3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 441.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124993957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).