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

C20H16F2N6O — CID 54670783

IUPAC7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21
InChIInChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27)
InChIKeyVTZBBQMFTROBRY-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.09
Rot. Bonds4

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

7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670783) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670783
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21
InChIInChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27)
InChIKeyVTZBBQMFTROBRY-UHFFFAOYSA-N
XLogP4.09
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.09
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)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670783) is 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is CCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21.
What is the InChIKey of 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is VTZBBQMFTROBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27).
What are the key properties of 7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide?
7-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 4.09, 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)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).