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WFY

C15H18ClFN4O — CID 154815605

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-1-[(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl]-3-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1cn([C@@H](C)[C@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12
InChIInChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1
InChIKeyHDYFVAJZXGMYBL-VFZGTOFNSA-N
MW324.79 g/mol
LogP2.36
Rot. Bonds3

About WFY

WFY (PubChem CID 154815605) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-1-[(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl]-3-methylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameWFY
PubChem CID154815605
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name4-chloro-1-[(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl]-3-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1cn([C@@H](C)[C@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12
InChIInChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1
InChIKeyHDYFVAJZXGMYBL-VFZGTOFNSA-N
XLogP2.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of WFY?
The IUPAC name of WFY (CID 154815605) is 4-chloro-1-[(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl]-3-methylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for WFY?
The canonical SMILES for WFY is Cc1cn([C@@H](C)[C@]2(F)CCNC2)c2nc(C(N)=O)cc(Cl)c12.
What is the InChIKey of WFY?
The InChIKey is HDYFVAJZXGMYBL-VFZGTOFNSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1.
What are the key properties of WFY?
WFY has a molecular weight of 324.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for WFY is sourced from PubChem (CID 154815605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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