N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C20H19F5N6O — CID 170577557

About N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577557) has the molecular formula C20H19F5N6O and a molecular weight of 454.40 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170577557
• Molecular Formula: C20H19F5N6O
• Molecular Weight: 454.40 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cn1)c(C1CN(CC(F)(F)F)C1)nn2-c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C20H19F5N6O/c1-11(32)27-16-6-14-13(7-26-16)18(12-8-30(9-12)10-20(23,24)25)29-31(14)17-5-3-4-15(28-17)19(2,21)22/h3-7,12H,8-10H2,1-2H3,(H,26,27,32)
• InChIKey: PSWJXAGYILOMPG-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.40
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577557) is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CN(CC(F)(F)F)C1)nn2-c1cccc(C(C)(F)F)n1.

What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is PSWJXAGYILOMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O/c1-11(32)27-16-6-14-13(7-26-16)18(12-8-30(9-12)10-20(23,24)25)29-31(14)17-5-3-4-15(28-17)19(2,21)22/h3-7,12H,8-10H2,1-2H3,(H,26,27,32).

What are the key properties of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 454.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).