2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid

C27H24Cl2FN5O4 — CID 175910514

About 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid

2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid (PubChem CID 175910514) has the molecular formula C27H24Cl2FN5O4 and a molecular weight of 572.42 g/mol. Its IUPAC name is 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
• PubChem CID: 175910514
• Molecular Formula: C27H24Cl2FN5O4
• Molecular Weight: 572.42 g/mol
• Exact Mass: 571.12
• IUPAC Name: 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
• SMILES: O=C(O)c1ccc2nc(CN3CCc4cc(Cl)c(OCc5ncc(Cl)cc5F)nc4C3)n(C[C@@H]3CCO3)c2c1
• InChI: InChI=1S/C27H24Cl2FN5O4/c28-17-9-20(30)23(31-10-17)14-39-26-19(29)7-15-3-5-34(12-22(15)33-26)13-25-32-21-2-1-16(27(36)37)8-24(21)35(25)11-18-4-6-38-18/h1-2,7-10,18H,3-6,11-14H2,(H,36,37)/t18-/m0/s1
• InChIKey: UDJNVFUVYZUMLE-SFHVURJKSA-N
• XLogP: 4.90
• TPSA: 102.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.42
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid?

The IUPAC name of 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid (CID 175910514) is 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(CN3CCc4cc(Cl)c(OCc5ncc(Cl)cc5F)nc4C3)n(C[C@@H]3CCO3)c2c1.

What is the InChIKey of 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid?

The InChIKey is UDJNVFUVYZUMLE-SFHVURJKSA-N. The full InChI is InChI=1S/C27H24Cl2FN5O4/c28-17-9-20(30)23(31-10-17)14-39-26-19(29)7-15-3-5-34(12-22(15)33-26)13-25-32-21-2-1-16(27(36)37)8-24(21)35(25)11-18-4-6-38-18/h1-2,7-10,18H,3-6,11-14H2,(H,36,37)/t18-/m0/s1.

What are the key properties of 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid?

2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid has a molecular weight of 572.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-chloro-2-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 175910514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).