3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one

C17H15F3N4O — CID 118323820

IUPAC3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2ccnc3ccn4nccc4c23)C1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)9-15(25)23-7-3-11(10-23)12-1-5-21-13-4-8-24-14(16(12)13)2-6-22-24/h1-2,4-6,8,11H,3,7,9-10H2
InChIKeyIVMFZSMPJRPUNT-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.15
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one

3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 118323820) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one
PubChem CID118323820
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2ccnc3ccn4nccc4c23)C1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)9-15(25)23-7-3-11(10-23)12-1-5-21-13-4-8-24-14(16(12)13)2-6-22-24/h1-2,4-6,8,11H,3,7,9-10H2
InChIKeyIVMFZSMPJRPUNT-UHFFFAOYSA-N
XLogP3.15
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one (CID 118323820) is 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one is O=C(CC(F)(F)F)N1CCC(c2ccnc3ccn4nccc4c23)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is IVMFZSMPJRPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)9-15(25)23-7-3-11(10-23)12-1-5-21-13-4-8-24-14(16(12)13)2-6-22-24/h1-2,4-6,8,11H,3,7,9-10H2.
What are the key properties of 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one?
3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 348.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-pyrazolo[5,1-f][1,6]naphthyridin-10-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 118323820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).