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

C24H24F3N5O2 — CID 86279081

IUPAC7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(C(F)(F)F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C24H24F3N5O2/c1-34-17-13-21-19(28-14-17)4-5-22(33)32(21)11-10-31-8-6-15(7-9-31)23-29-18-3-2-16(24(25,26)27)12-20(18)30-23/h2-5,12-15H,6-11H2,1H3,(H,29,30)
InChIKeyWFBIDTFPRPTEMD-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.18
Rot. Bonds5

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

7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 86279081) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID86279081
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(C(F)(F)F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C24H24F3N5O2/c1-34-17-13-21-19(28-14-17)4-5-22(33)32(21)11-10-31-8-6-15(7-9-31)23-29-18-3-2-16(24(25,26)27)12-20(18)30-23/h2-5,12-15H,6-11H2,1H3,(H,29,30)
InChIKeyWFBIDTFPRPTEMD-UHFFFAOYSA-N
XLogP4.18
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 86279081) is 7-methoxy-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-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(C(F)(F)F)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is WFBIDTFPRPTEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-34-17-13-21-19(28-14-17)4-5-22(33)32(21)11-10-31-8-6-15(7-9-31)23-29-18-3-2-16(24(25,26)27)12-20(18)30-23/h2-5,12-15H,6-11H2,1H3,(H,29,30).
What are the key properties of 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 471.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 86279081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).