1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol

C21H20F3N7O — CID 155356391

About 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol

1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol (PubChem CID 155356391) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
• PubChem CID: 155356391
• Molecular Formula: C21H20F3N7O
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.17
• IUPAC Name: 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
• SMILES: CCN1CC(C(O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1
• InChI: InChI=1S/C21H20F3N7O/c1-2-30-10-15(11-30)20(32,21(22,23)24)14-3-4-17(26-8-14)31-9-13(7-29-31)16-5-6-25-19-18(16)27-12-28-19/h3-9,12,15,32H,2,10-11H2,1H3,(H,25,27,28)
• InChIKey: FBMJSJDDOWSNBL-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 95.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?

The IUPAC name of 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol (CID 155356391) is 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol.

What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?

The canonical SMILES for 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol is CCN1CC(C(O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1.

What is the InChIKey of 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?

The InChIKey is FBMJSJDDOWSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-2-30-10-15(11-30)20(32,21(22,23)24)14-3-4-17(26-8-14)31-9-13(7-29-31)16-5-6-25-19-18(16)27-12-28-19/h3-9,12,15,32H,2,10-11H2,1H3,(H,25,27,28).

What are the key properties of 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol?

1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol has a molecular weight of 443.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 155356391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).