5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C25H18ClFN4O3 — CID 71621369

IUPAC5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc2[nH]c(C3C4Oc5cc(Cl)c(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F
InChIInChI=1S/C25H18ClFN4O3/c1-10-6-15-16(9-14(10)27)30-25(29-15)22-21-12-7-19(13(26)8-18(12)34-23(21)22)33-17-4-5-28-24-11(17)2-3-20(32)31-24/h4-9,21-23H,2-3H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyLYLWEGLVHUDDOA-UHFFFAOYSA-N
MW476.90 g/mol
LogP5.38
Rot. Bonds3

About 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71621369) has the molecular formula C25H18ClFN4O3 and a molecular weight of 476.90 g/mol. Its IUPAC name is 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71621369
Molecular FormulaC25H18ClFN4O3
Molecular Weight476.90 g/mol
Exact Mass476.11
IUPAC Name5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cc2[nH]c(C3C4Oc5cc(Cl)c(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F
InChIInChI=1S/C25H18ClFN4O3/c1-10-6-15-16(9-14(10)27)30-25(29-15)22-21-12-7-19(13(26)8-18(12)34-23(21)22)33-17-4-5-28-24-11(17)2-3-20(32)31-24/h4-9,21-23H,2-3H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyLYLWEGLVHUDDOA-UHFFFAOYSA-N
XLogP5.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.90
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71621369) is 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cc2[nH]c(C3C4Oc5cc(Cl)c(Oc6ccnc7c6CCC(=O)N7)cc5C43)nc2cc1F.
What is the InChIKey of 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is LYLWEGLVHUDDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O3/c1-10-6-15-16(9-14(10)27)30-25(29-15)22-21-12-7-19(13(26)8-18(12)34-23(21)22)33-17-4-5-28-24-11(17)2-3-20(32)31-24/h4-9,21-23H,2-3H2,1H3,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 476.90 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71621369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).