N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C20H20F2N6O2 — CID 177282302

About N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 177282302) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 177282302
• Molecular Formula: C20H20F2N6O2
• Molecular Weight: 414.42 g/mol
• Exact Mass: 414.16
• IUPAC Name: N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2-c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C20H20F2N6O2/c1-11(29)24-17-7-15-14(8-23-17)19(27-9-12-6-13(10-27)30-12)26-28(15)18-5-3-4-16(25-18)20(2,21)22/h3-5,7-8,12-13H,6,9-10H2,1-2H3,(H,23,24,29)
• InChIKey: XKRWWDPGAZPIDE-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 177282302) is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-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-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2-c1cccc(C(C)(F)F)n1.

What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is XKRWWDPGAZPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-11(29)24-17-7-15-14(8-23-17)19(27-9-12-6-13(10-27)30-12)26-28(15)18-5-3-4-16(25-18)20(2,21)22/h3-5,7-8,12-13H,6,9-10H2,1-2H3,(H,23,24,29).

What are the key properties of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 177282302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).