2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide

C21H18ClFN6O — CID 54669943

IUPAC2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C21H18ClFN6O/c1-28(2)20(30)12-29-21-17(6-8-25-19(21)11-26-29)27-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h3-11H,12H2,1-2H3,(H,24,25,27)
InChIKeyJVJADXIFNDIKNQ-UHFFFAOYSA-N
MW424.87 g/mol
LogP4.12
Rot. Bonds5

About 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide

2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 54669943) has the molecular formula C21H18ClFN6O and a molecular weight of 424.87 g/mol. Its IUPAC name is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID54669943
Molecular FormulaC21H18ClFN6O
Molecular Weight424.87 g/mol
Exact Mass424.12
IUPAC Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C21H18ClFN6O/c1-28(2)20(30)12-29-21-17(6-8-25-19(21)11-26-29)27-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h3-11H,12H2,1-2H3,(H,24,25,27)
InChIKeyJVJADXIFNDIKNQ-UHFFFAOYSA-N
XLogP4.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide (CID 54669943) is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is JVJADXIFNDIKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O/c1-28(2)20(30)12-29-21-17(6-8-25-19(21)11-26-29)27-14-5-7-24-18(10-14)15-9-13(22)3-4-16(15)23/h3-11H,12H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide?
2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 424.87 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 54669943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).