(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol

C24H38N4O3 — CID 26402885

About (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol

(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol (PubChem CID 26402885) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 26402885
• Molecular Formula: C24H38N4O3
• Molecular Weight: 430.59 g/mol
• Exact Mass: 430.29
• IUPAC Name: (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
• SMILES: COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN(C)C1CCCCC1
• InChI: InChI=1S/C24H38N4O3/c1-26(15-20-13-25-28(3)16-20)14-19-10-11-23(24(12-19)30-4)31-18-22(29)17-27(2)21-8-6-5-7-9-21/h10-13,16,21-22,29H,5-9,14-15,17-18H2,1-4H3/t22-/m0/s1
• InChIKey: QNOWXKDPWPNRDU-QFIPXVFZSA-N
• XLogP: 3.06
• TPSA: 62.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.59
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The IUPAC name of (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol (CID 26402885) is (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol.

What is the SMILES notation for (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The canonical SMILES for (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol is COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN(C)C1CCCCC1.

What is the InChIKey of (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

The InChIKey is QNOWXKDPWPNRDU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-26(15-20-13-25-28(3)16-20)14-19-10-11-23(24(12-19)30-4)31-18-22(29)17-27(2)21-8-6-5-7-9-21/h10-13,16,21-22,29H,5-9,14-15,17-18H2,1-4H3/t22-/m0/s1.

What are the key properties of (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol?

(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol has a molecular weight of 430.59 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 26402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).