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

C25H21N5O3 — CID 118948407

IUPAC5-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cccnc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C25H21N5O3/c31-23-6-4-19-22(7-9-27-25(19)30-23)33-18-3-5-21-16(11-18)10-17(14-32-21)24-28-13-20(29-24)15-2-1-8-26-12-15/h1-3,5,7-9,11-13,17H,4,6,10,14H2,(H,28,29)(H,27,30,31)
InChIKeyPZYMRAIAKDHZSO-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.26
Rot. Bonds4

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

5-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948407) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[[3-(5-pyridin-3-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 Name5-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948407
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name5-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cccnc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C25H21N5O3/c31-23-6-4-19-22(7-9-27-25(19)30-23)33-18-3-5-21-16(11-18)10-17(14-32-21)24-28-13-20(29-24)15-2-1-8-26-12-15/h1-3,5,7-9,11-13,17H,4,6,10,14H2,(H,28,29)(H,27,30,31)
InChIKeyPZYMRAIAKDHZSO-UHFFFAOYSA-N
XLogP4.26
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(5-pyridin-3-yl-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-pyridin-3-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-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948407) is 5-[[3-(5-pyridin-3-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-[[3-(5-pyridin-3-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-[[3-(5-pyridin-3-yl-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)CC(c3ncc(-c5cccnc5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-(5-pyridin-3-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 PZYMRAIAKDHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-23-6-4-19-22(7-9-27-25(19)30-23)33-18-3-5-21-16(11-18)10-17(14-32-21)24-28-13-20(29-24)15-2-1-8-26-12-15/h1-3,5,7-9,11-13,17H,4,6,10,14H2,(H,28,29)(H,27,30,31).
What are the key properties of 5-[[3-(5-pyridin-3-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-(5-pyridin-3-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 439.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-pyridin-3-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 118948407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).