5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H26N6O3 — CID 162772352

About 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162772352) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 162772352
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: CCc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1
• InChI: InChI=1S/C26H26N6O3/c1-3-17-12-21(32(2)31-17)20-13-28-25(29-20)16-10-15-11-18(4-6-22(15)34-14-16)35-23-8-9-27-26-19(23)5-7-24(33)30-26/h4,6,8-9,11-13,16H,3,5,7,10,14H2,1-2H3,(H,28,29)(H,27,30,33)/t16-/m1/s1
• InChIKey: WRMNZJZHFMLIHC-MRXNPFEDSA-N
• XLogP: 4.16
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162772352) is 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.

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

The InChIKey is WRMNZJZHFMLIHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-3-17-12-21(32(2)31-17)20-13-28-25(29-20)16-10-15-11-18(4-6-22(15)34-14-16)35-23-8-9-27-26-19(23)5-7-24(33)30-26/h4,6,8-9,11-13,16H,3,5,7,10,14H2,1-2H3,(H,28,29)(H,27,30,33)/t16-/m1/s1.

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

5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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 470.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-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 162772352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).