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

C22H19ClFN7O — CID 54669945

IUPAC1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32)
InChIKeyKYLVATWOSBUJDD-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.05
Rot. Bonds6

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

1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one (PubChem CID 54669945) has the molecular formula C22H19ClFN7O and a molecular weight of 451.89 g/mol. Its IUPAC name is 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
PubChem CID54669945
Molecular FormulaC22H19ClFN7O
Molecular Weight451.89 g/mol
Exact Mass451.13
IUPAC Name1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32)
InChIKeyKYLVATWOSBUJDD-UHFFFAOYSA-N
XLogP4.05
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one (CID 54669945) is 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.
What is the InChIKey of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The InChIKey is KYLVATWOSBUJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32).
What are the key properties of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one has a molecular weight of 451.89 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 54669945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).