(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol

C23H34N4O2 — CID 97268153

About (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol

(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol (PubChem CID 97268153) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
• PubChem CID: 97268153
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
• SMILES: CN(C[C@@H](O)COc1ccccc1CN1CCc2[nH]ncc2C1)C1CCCCC1
• InChI: InChI=1S/C23H34N4O2/c1-26(20-8-3-2-4-9-20)16-21(28)17-29-23-10-6-5-7-18(23)14-27-12-11-22-19(15-27)13-24-25-22/h5-7,10,13,20-21,28H,2-4,8-9,11-12,14-17H2,1H3,(H,24,25)/t21-/m1/s1
• InChIKey: ATQJSYOXFOBGRV-OAQYLSRUSA-N
• XLogP: 2.97
• TPSA: 64.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol?

The IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol (CID 97268153) is (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol?

The canonical SMILES for (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol is CN(C[C@@H](O)COc1ccccc1CN1CCc2[nH]ncc2C1)C1CCCCC1.

What is the InChIKey of (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol?

The InChIKey is ATQJSYOXFOBGRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-26(20-8-3-2-4-9-20)16-21(28)17-29-23-10-6-5-7-18(23)14-27-12-11-22-19(15-27)13-24-25-22/h5-7,10,13,20-21,28H,2-4,8-9,11-12,14-17H2,1H3,(H,24,25)/t21-/m1/s1.

What are the key properties of (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol?

(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 398.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 97268153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).