5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H21F2N5O3 — CID 162772345

About 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162772345) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 162772345
• Molecular Formula: C26H21F2N5O3
• Molecular Weight: 489.48 g/mol
• Exact Mass: 489.16
• IUPAC Name: 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(-c5ccnc(C(F)F)c5)[nH]3)CO4)ccnc2N1
• InChI: InChI=1S/C26H21F2N5O3/c27-24(28)19-11-14(5-7-29-19)20-12-31-25(32-20)16-9-15-10-17(1-3-21(15)35-13-16)36-22-6-8-30-26-18(22)2-4-23(34)33-26/h1,3,5-8,10-12,16,24H,2,4,9,13H2,(H,31,32)(H,30,33,34)/t16-/m0/s1
• InChIKey: RJLFQXRYKWIKJE-INIZCTEOSA-N
• XLogP: 5.20
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.48
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The IUPAC name of 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162772345) is 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(-c5ccnc(C(F)F)c5)[nH]3)CO4)ccnc2N1.

What is the InChIKey of 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The InChIKey is RJLFQXRYKWIKJE-INIZCTEOSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c27-24(28)19-11-14(5-7-29-19)20-12-31-25(32-20)16-9-15-10-17(1-3-21(15)35-13-16)36-22-6-8-30-26-18(22)2-4-23(34)33-26/h1,3,5-8,10-12,16,24H,2,4,9,13H2,(H,31,32)(H,30,33,34)/t16-/m0/s1.

What are the key properties of 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 489.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162772345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).