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

C26H23N5O4 — CID 162712885

IUPAC5-[[3-[5-(2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C26H23N5O4/c1-33-24-12-15(6-8-27-24)20-13-29-25(30-20)17-10-16-11-18(2-4-21(16)34-14-17)35-22-7-9-28-26-19(22)3-5-23(32)31-26/h2,4,6-9,11-13,17H,3,5,10,14H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyVXZRNMGXYCNJDM-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.27
Rot. Bonds5

About 5-[[3-[5-(2-methoxy-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-methoxy-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 162712885) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 5-[[3-[5-(2-methoxy-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-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712885
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name5-[[3-[5-(2-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C26H23N5O4/c1-33-24-12-15(6-8-27-24)20-13-29-25(30-20)17-10-16-11-18(2-4-21(16)34-14-17)35-22-7-9-28-26-19(22)3-5-23(32)31-26/h2,4,6-9,11-13,17H,3,5,10,14H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyVXZRNMGXYCNJDM-UHFFFAOYSA-N
XLogP4.27
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[5-(2-methoxy-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-methoxy-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-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712885) is 5-[[3-[5-(2-methoxy-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-methoxy-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-methoxy-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is COc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.
What is the InChIKey of 5-[[3-[5-(2-methoxy-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 VXZRNMGXYCNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-33-24-12-15(6-8-27-24)20-13-29-25(30-20)17-10-16-11-18(2-4-21(16)34-14-17)35-22-7-9-28-26-19(22)3-5-23(32)31-26/h2,4,6-9,11-13,17H,3,5,10,14H2,1H3,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(2-methoxy-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-methoxy-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 469.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-methoxy-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 162712885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).