(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone

C₂₆H₂₁ClF₃N₅O — CID 155739023

About (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone

(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone (PubChem CID 155739023) has the molecular formula C₂₆H₂₁ClF₃N₅O and a molecular weight of 511.94 g/mol. Its IUPAC name is (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
• PubChem CID: 155739023
• Molecular Formula: C₂₆H₂₁ClF₃N₅O
• Molecular Weight: 511.94 g/mol
• Exact Mass: 511.14
• IUPAC Name: (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
• SMILES: O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21
• InChI: InChI=1S/C26H21ClF3N5O/c27-17-6-2-1-5-16(17)23(36)35-12-3-7-18-20(35)8-9-21(32-18)25(10-4-11-25)24-33-19-13-15(26(28,29)30)14-31-22(19)34-24/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,31,33,34)
• InChIKey: MAUVGVGCMKPKJP-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.94
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?

The IUPAC name of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone (CID 155739023) is (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?

The canonical SMILES for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21.

What is the InChIKey of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?

The InChIKey is MAUVGVGCMKPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O/c27-17-6-2-1-5-16(17)23(36)35-12-3-7-18-20(35)8-9-21(32-18)25(10-4-11-25)24-33-19-13-15(26(28,29)30)14-31-22(19)34-24/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,31,33,34).

What are the key properties of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?

(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone has a molecular weight of 511.94 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone is sourced from PubChem (CID 155739023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155739023 — identifiers, structure, computed properties (public domain)

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