1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone

C24H28FN3O4 — CID 163426910

About 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone

1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone (PubChem CID 163426910) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone
• PubChem CID: 163426910
• Molecular Formula: C24H28FN3O4
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.21
• IUPAC Name: 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone
• SMILES: CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(CO)CCOC4)cnc23)c1
• InChI: InChI=1S/C24H28FN3O4/c1-15(2)28-20-10-18(21(30)11-24(13-29)7-8-31-14-24)12-26-23(20)22(27-28)17-5-4-6-19(9-17)32-16(3)25/h4-6,9-10,12,15-16,29H,7-8,11,13-14H2,1-3H3/t16?,24-/m1/s1
• InChIKey: JECZZCMLLPPKPO-OODIQHKMSA-N
• XLogP: 4.35
• TPSA: 86.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone?

The IUPAC name of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone (CID 163426910) is 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone.

What is the SMILES notation for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone?

The canonical SMILES for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone is CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)C[C@@]4(CO)CCOC4)cnc23)c1.

What is the InChIKey of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone?

The InChIKey is JECZZCMLLPPKPO-OODIQHKMSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-15(2)28-20-10-18(21(30)11-24(13-29)7-8-31-14-24)12-26-23(20)22(27-28)17-5-4-6-19(9-17)32-16(3)25/h4-6,9-10,12,15-16,29H,7-8,11,13-14H2,1-3H3/t16?,24-/m1/s1.

What are the key properties of 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone?

1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone has a molecular weight of 441.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone is sourced from PubChem (CID 163426910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).