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

C21H18F2N6O — CID 67470617

IUPAC7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(F)ccc4F)ncc3C)c21
InChIInChI=1S/C21H18F2N6O/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)
InChIKeySUBQDGNIKMDSLJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.40
Rot. Bonds4

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

7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 67470617) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID67470617
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(F)ccc4F)ncc3C)c21
InChIInChI=1S/C21H18F2N6O/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)
InChIKeySUBQDGNIKMDSLJ-UHFFFAOYSA-N
XLogP4.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 67470617) is 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is CCNC(=O)n1ncc2nccc(Nc3cc(-c4cc(F)ccc4F)ncc3C)c21.
What is the InChIKey of 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is SUBQDGNIKMDSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O/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-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 67470617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).