7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid

C23H27F4N5O3 — CID 161252565

IUPAC7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26FN5O.C2HF3O2/c1-15-23-14-18(25-15)3-2-16-6-8-26(9-7-16)10-11-27-20-12-17(22)13-24-19(20)4-5-21(27)28;3-2(4,5)1(6)7/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,23,25);(H,6,7)
InChIKeyCJIVYTRXHOCBGT-UHFFFAOYSA-N
MW497.49 g/mol
LogP3.55
Rot. Bonds6

About 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid

7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 161252565) has the molecular formula C23H27F4N5O3 and a molecular weight of 497.49 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID161252565
Molecular FormulaC23H27F4N5O3
Molecular Weight497.49 g/mol
Exact Mass497.21
IUPAC Name7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26FN5O.C2HF3O2/c1-15-23-14-18(25-15)3-2-16-6-8-26(9-7-16)10-11-27-20-12-17(22)13-24-19(20)4-5-21(27)28;3-2(4,5)1(6)7/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,23,25);(H,6,7)
InChIKeyCJIVYTRXHOCBGT-UHFFFAOYSA-N
XLogP3.55
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid (CID 161252565) is 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid is Cc1ncc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is CJIVYTRXHOCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O.C2HF3O2/c1-15-23-14-18(25-15)3-2-16-6-8-26(9-7-16)10-11-27-20-12-17(22)13-24-19(20)4-5-21(27)28;3-2(4,5)1(6)7/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,23,25);(H,6,7).
What are the key properties of 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 497.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-[2-(2-methyl-1H-imidazol-5-yl)ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161252565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).