7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C23H21F4N5O — CID 118709265

IUPAC7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C23H21F4N5O/c24-16-12-20-18(28-13-16)3-4-21(33)32(20)10-9-31-7-5-14(6-8-31)22-29-17-2-1-15(23(25,26)27)11-19(17)30-22/h1-4,11-14H,5-10H2,(H,29,30)
InChIKeyADNZLSNERKFIHZ-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.31
Rot. Bonds4

About 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 118709265) has the molecular formula C23H21F4N5O and a molecular weight of 459.45 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID118709265
Molecular FormulaC23H21F4N5O
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC Name7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C23H21F4N5O/c24-16-12-20-18(28-13-16)3-4-21(33)32(20)10-9-31-7-5-14(6-8-31)22-29-17-2-1-15(23(25,26)27)11-19(17)30-22/h1-4,11-14H,5-10H2,(H,29,30)
InChIKeyADNZLSNERKFIHZ-UHFFFAOYSA-N
XLogP4.31
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 118709265) is 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1.
What is the InChIKey of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is ADNZLSNERKFIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N5O/c24-16-12-20-18(28-13-16)3-4-21(33)32(20)10-9-31-7-5-14(6-8-31)22-29-17-2-1-15(23(25,26)27)11-19(17)30-22/h1-4,11-14H,5-10H2,(H,29,30).
What are the key properties of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 459.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 118709265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).