(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

C22H34N4O4 — CID 28954876

About (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 28954876) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 28954876
• Molecular Formula: C22H34N4O4
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.26
• IUPAC Name: (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
• SMILES: CCN(Cc1cnn(C)c1)Cc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1
• InChI: InChI=1S/C22H34N4O4/c1-4-25(14-18-12-23-24(2)13-18)15-19-6-5-7-21(28-3)22(19)30-17-20(27)16-26-8-10-29-11-9-26/h5-7,12-13,20,27H,4,8-11,14-17H2,1-3H3/t20-/m0/s1
• InChIKey: UQNJUOUTQYWCBF-FQEVSTJZSA-N
• XLogP: 1.52
• TPSA: 72.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (CID 28954876) is (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is CCN(Cc1cnn(C)c1)Cc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1.

What is the InChIKey of (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?

The InChIKey is UQNJUOUTQYWCBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-4-25(14-18-12-23-24(2)13-18)15-19-6-5-7-21(28-3)22(19)30-17-20(27)16-26-8-10-29-11-9-26/h5-7,12-13,20,27H,4,8-11,14-17H2,1-3H3/t20-/m0/s1.

What are the key properties of (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?

(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 418.54 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 28954876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).