2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone

C23H20ClFN6O2 — CID 54670033

IUPAC2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21)N1CCOCC1
InChIInChI=1S/C23H20ClFN6O2/c24-15-1-2-18(25)17(11-15)20-12-16(3-5-26-20)29-19-4-6-27-21-13-28-31(23(19)21)14-22(32)30-7-9-33-10-8-30/h1-6,11-13H,7-10,14H2,(H,26,27,29)
InChIKeyRNHWUAGSCHQLCO-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.89
Rot. Bonds5

About 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone

2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 54670033) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone
PubChem CID54670033
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21)N1CCOCC1
InChIInChI=1S/C23H20ClFN6O2/c24-15-1-2-18(25)17(11-15)20-12-16(3-5-26-20)29-19-4-6-27-21-13-28-31(23(19)21)14-22(32)30-7-9-33-10-8-30/h1-6,11-13H,7-10,14H2,(H,26,27,29)
InChIKeyRNHWUAGSCHQLCO-UHFFFAOYSA-N
XLogP3.89
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone (CID 54670033) is 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21)N1CCOCC1.
What is the InChIKey of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is RNHWUAGSCHQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-15-1-2-18(25)17(11-15)20-12-16(3-5-26-20)29-19-4-6-27-21-13-28-31(23(19)21)14-22(32)30-7-9-33-10-8-30/h1-6,11-13H,7-10,14H2,(H,26,27,29).
What are the key properties of 2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone?
2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 466.90 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 54670033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).