7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide

C21H18ClFN6O — CID 54670227

IUPAC7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21
InChIInChI=1S/C21H18ClFN6O/c1-3-24-21(30)29-20-16(6-7-25-19(20)11-27-29)28-17-9-18(26-10-12(17)2)14-8-13(22)4-5-15(14)23/h4-11H,3H2,1-2H3,(H,24,30)(H,25,26,28)
InChIKeyVQJFHBILSWVUBS-UHFFFAOYSA-N
MW424.87 g/mol
LogP4.92
Rot. Bonds4

About 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide

7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670227) has the molecular formula C21H18ClFN6O and a molecular weight of 424.87 g/mol. Its IUPAC name is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670227
Molecular FormulaC21H18ClFN6O
Molecular Weight424.87 g/mol
Exact Mass424.12
IUPAC Name7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21
InChIInChI=1S/C21H18ClFN6O/c1-3-24-21(30)29-20-16(6-7-25-19(20)11-27-29)28-17-9-18(26-10-12(17)2)14-8-13(22)4-5-15(14)23/h4-11H,3H2,1-2H3,(H,24,30)(H,25,26,28)
InChIKeyVQJFHBILSWVUBS-UHFFFAOYSA-N
XLogP4.92
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670227) is 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is CCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21.
What is the InChIKey of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is VQJFHBILSWVUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O/c1-3-24-21(30)29-20-16(6-7-25-19(20)11-27-29)28-17-9-18(26-10-12(17)2)14-8-13(22)4-5-15(14)23/h4-11H,3H2,1-2H3,(H,24,30)(H,25,26,28).
What are the key properties of 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 424.87 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).