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

C20H16ClFN6O — CID 54670036

IUPAC2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide
SMILESCC(C(N)=O)n1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H16ClFN6O/c1-11(20(23)29)28-10-18-19(27-28)16(5-7-25-18)26-13-4-6-24-17(9-13)14-8-12(21)2-3-15(14)22/h2-11H,1H3,(H2,23,29)(H,24,26)
InChIKeyZVTMPVQAVSNTLA-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.08
Rot. Bonds5

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

2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide (PubChem CID 54670036) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide
PubChem CID54670036
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide
SMILESCC(C(N)=O)n1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H16ClFN6O/c1-11(20(23)29)28-10-18-19(27-28)16(5-7-25-18)26-13-4-6-24-17(9-13)14-8-12(21)2-3-15(14)22/h2-11H,1H3,(H2,23,29)(H,24,26)
InChIKeyZVTMPVQAVSNTLA-UHFFFAOYSA-N
XLogP4.08
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.08
H-Bond Donors ≤ 52
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-2-yl]propanamide?
The IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide (CID 54670036) is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide?
The canonical SMILES for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide is CC(C(N)=O)n1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.
What is the InChIKey of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide?
The InChIKey is ZVTMPVQAVSNTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c1-11(20(23)29)28-10-18-19(27-28)16(5-7-25-18)26-13-4-6-24-17(9-13)14-8-12(21)2-3-15(14)22/h2-11H,1H3,(H2,23,29)(H,24,26).
What are the key properties of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide?
2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propanamide has a molecular weight of 410.84 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 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-2-yl]propanamide is sourced from PubChem (CID 54670036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).