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

C16H14BrF2N5O2 — CID 170351861

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

N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351861) has the molecular formula C16H14BrF2N5O2 and a molecular weight of 426.22 g/mol. Its IUPAC name is N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170351861
• Molecular Formula: C16H14BrF2N5O2
• Molecular Weight: 426.22 g/mol
• Exact Mass: 425.03
• IUPAC Name: N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: COc1cc(-n2nc(Br)c3cnc(NC(C)=O)cc32)nc(C(C)(F)F)c1
• InChI: InChI=1S/C16H14BrF2N5O2/c1-8(25)21-13-6-11-10(7-20-13)15(17)23-24(11)14-5-9(26-3)4-12(22-14)16(2,18)19/h4-7H,1-3H3,(H,20,21,25)
• InChIKey: IOEFZKYNYXZTBK-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.22
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351861) is N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

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

The canonical SMILES for N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is COc1cc(-n2nc(Br)c3cnc(NC(C)=O)cc32)nc(C(C)(F)F)c1.

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

The InChIKey is IOEFZKYNYXZTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2N5O2/c1-8(25)21-13-6-11-10(7-20-13)15(17)23-24(11)14-5-9(26-3)4-12(22-14)16(2,18)19/h4-7H,1-3H3,(H,20,21,25).

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

N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 426.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).