2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide

C21H20FN7O — CID 67470491

IUPAC2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ncc2nccc(Nc3cc(-c4nc(C)ccc4F)ncc3C)c21
InChIInChI=1S/C21H20FN7O/c1-12-9-25-17(20-14(22)5-4-13(2)27-20)8-16(12)28-15-6-7-24-18-10-26-29(21(15)18)11-19(30)23-3/h4-10H,11H2,1-3H3,(H,23,30)(H,24,25,28)
InChIKeyHDKXOMCCSRQNMD-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.13
Rot. Bonds5

About 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide

2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide (PubChem CID 67470491) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide
PubChem CID67470491
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ncc2nccc(Nc3cc(-c4nc(C)ccc4F)ncc3C)c21
InChIInChI=1S/C21H20FN7O/c1-12-9-25-17(20-14(22)5-4-13(2)27-20)8-16(12)28-15-6-7-24-18-10-26-29(21(15)18)11-19(30)23-3/h4-10H,11H2,1-3H3,(H,23,30)(H,24,25,28)
InChIKeyHDKXOMCCSRQNMD-UHFFFAOYSA-N
XLogP3.13
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide (CID 67470491) is 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide is CNC(=O)Cn1ncc2nccc(Nc3cc(-c4nc(C)ccc4F)ncc3C)c21.
What is the InChIKey of 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide?
The InChIKey is HDKXOMCCSRQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-12-9-25-17(20-14(22)5-4-13(2)27-20)8-16(12)28-15-6-7-24-18-10-26-29(21(15)18)11-19(30)23-3/h4-10H,11H2,1-3H3,(H,23,30)(H,24,25,28).
What are the key properties of 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide?
2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide has a molecular weight of 405.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide is sourced from PubChem (CID 67470491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).