[(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol

C23H28F3N7O3 — CID 177313426

About [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol

[(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol (PubChem CID 177313426) has the molecular formula C23H28F3N7O3 and a molecular weight of 507.52 g/mol. Its IUPAC name is [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol.

Molecular Properties

• Compound Name: [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
• PubChem CID: 177313426
• Molecular Formula: C23H28F3N7O3
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.22
• IUPAC Name: [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
• SMILES: CC(c1nn(-c2ccn[nH]2)c2nc(N3C4CCC3COC4)cc(N3CCOC[C@H]3CO)c12)C(F)(F)F
• InChI: InChI=1S/C23H28F3N7O3/c1-13(23(24,25)26)21-20-17(31-6-7-35-12-16(31)9-34)8-19(32-14-2-3-15(32)11-36-10-14)28-22(20)33(30-21)18-4-5-27-29-18/h4-5,8,13-16,34H,2-3,6-7,9-12H2,1H3,(H,27,29)/t13?,14?,15?,16-/m1/s1
• InChIKey: MHYAVGUKVGIYBC-LGGPCSOHSA-N
• XLogP: 2.37
• TPSA: 104.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol?

The IUPAC name of [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol (CID 177313426) is [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol.

What is the SMILES notation for [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol?

The canonical SMILES for [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol is CC(c1nn(-c2ccn[nH]2)c2nc(N3C4CCC3COC4)cc(N3CCOC[C@H]3CO)c12)C(F)(F)F.

What is the InChIKey of [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol?

The InChIKey is MHYAVGUKVGIYBC-LGGPCSOHSA-N. The full InChI is InChI=1S/C23H28F3N7O3/c1-13(23(24,25)26)21-20-17(31-6-7-35-12-16(31)9-34)8-19(32-14-2-3-15(32)11-36-10-14)28-22(20)33(30-21)18-4-5-27-29-18/h4-5,8,13-16,34H,2-3,6-7,9-12H2,1H3,(H,27,29)/t13?,14?,15?,16-/m1/s1.

What are the key properties of [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol?

[(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol has a molecular weight of 507.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol is sourced from PubChem (CID 177313426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).