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

C27H25N5O3 — CID 162712865

IUPAC5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C27H25N5O3/c1-2-19-12-16(7-9-28-19)22-14-30-26(31-22)18-11-17-13-20(3-5-23(17)34-15-18)35-24-8-10-29-27-21(24)4-6-25(33)32-27/h3,5,7-10,12-14,18H,2,4,6,11,15H2,1H3,(H,30,31)(H,29,32,33)
InChIKeyOPUNCZHFYRSHRA-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.82
Rot. Bonds5

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

5-[[3-[5-(2-ethyl-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 162712865) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-[[3-[5-(2-ethyl-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 Name5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712865
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C27H25N5O3/c1-2-19-12-16(7-9-28-19)22-14-30-26(31-22)18-11-17-13-20(3-5-23(17)34-15-18)35-24-8-10-29-27-21(24)4-6-25(33)32-27/h3,5,7-10,12-14,18H,2,4,6,11,15H2,1H3,(H,30,31)(H,29,32,33)
InChIKeyOPUNCZHFYRSHRA-UHFFFAOYSA-N
XLogP4.82
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-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-[[3-[5-(2-ethyl-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-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712865) is 5-[[3-[5-(2-ethyl-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-[[3-[5-(2-ethyl-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-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.
What is the InChIKey of 5-[[3-[5-(2-ethyl-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 OPUNCZHFYRSHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-2-19-12-16(7-9-28-19)22-14-30-26(31-22)18-11-17-13-20(3-5-23(17)34-15-18)35-24-8-10-29-27-21(24)4-6-25(33)32-27/h3,5,7-10,12-14,18H,2,4,6,11,15H2,1H3,(H,30,31)(H,29,32,33).
What are the key properties of 5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(2-ethyl-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 467.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-ethyl-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 162712865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).