N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide

C20H18FN7O — CID 54670970

IUPACN-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4nc(C)ccc4F)c3)c21
InChIInChI=1S/C20H18FN7O/c1-3-22-20(29)28-19-15(7-9-24-17(19)11-25-28)27-13-6-8-23-16(10-13)18-14(21)5-4-12(2)26-18/h4-11H,3H2,1-2H3,(H,22,29)(H,23,24,27)
InChIKeyMIENEMUSROVENT-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide

N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide (PubChem CID 54670970) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
PubChem CID54670970
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide
SMILESCCNC(=O)n1ncc2nccc(Nc3ccnc(-c4nc(C)ccc4F)c3)c21
InChIInChI=1S/C20H18FN7O/c1-3-22-20(29)28-19-15(7-9-24-17(19)11-25-28)27-13-6-8-23-16(10-13)18-14(21)5-4-12(2)26-18/h4-11H,3H2,1-2H3,(H,22,29)(H,23,24,27)
InChIKeyMIENEMUSROVENT-UHFFFAOYSA-N
XLogP3.66
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The IUPAC name of N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide (CID 54670970) is N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide is CCNC(=O)n1ncc2nccc(Nc3ccnc(-c4nc(C)ccc4F)c3)c21.
What is the InChIKey of N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
The InChIKey is MIENEMUSROVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-3-22-20(29)28-19-15(7-9-24-17(19)11-25-28)27-13-6-8-23-16(10-13)18-14(21)5-4-12(2)26-18/h4-11H,3H2,1-2H3,(H,22,29)(H,23,24,27).
What are the key properties of N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide?
N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 54670970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).