[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid

C19H15F4N5O3 — CID 155389904

About [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid

[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid (PubChem CID 155389904) has the molecular formula C19H15F4N5O3 and a molecular weight of 437.35 g/mol. Its IUPAC name is [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid
• PubChem CID: 155389904
• Molecular Formula: C19H15F4N5O3
• Molecular Weight: 437.35 g/mol
• Exact Mass: 437.11
• IUPAC Name: [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid
• SMILES: O=C(O)NC1CN(C(=O)Cn2nc(F)c3ncc(-c4ccc(F)c(C(F)F)c4)cc32)C1
• InChI: InChI=1S/C19H15F4N5O3/c20-13-2-1-9(3-12(13)17(21)22)10-4-14-16(24-5-10)18(23)26-28(14)8-15(29)27-6-11(7-27)25-19(30)31/h1-5,11,17,25H,6-8H2,(H,30,31)
• InChIKey: ABUUMOJUIQEUPD-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.35
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid?

The IUPAC name of [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid (CID 155389904) is [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid.

What is the SMILES notation for [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid?

The canonical SMILES for [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid is O=C(O)NC1CN(C(=O)Cn2nc(F)c3ncc(-c4ccc(F)c(C(F)F)c4)cc32)C1.

What is the InChIKey of [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid?

The InChIKey is ABUUMOJUIQEUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O3/c20-13-2-1-9(3-12(13)17(21)22)10-4-14-16(24-5-10)18(23)26-28(14)8-15(29)27-6-11(7-27)25-19(30)31/h1-5,11,17,25H,6-8H2,(H,30,31).

What are the key properties of [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid?

[1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid has a molecular weight of 437.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[6-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]acetyl]azetidin-3-yl]carbamic acid is sourced from PubChem (CID 155389904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).