5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C23H17N5O3 — CID 71622946

IUPAC5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1
InChIInChI=1S/C23H17N5O3/c29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyQTUSAODLDZOJAR-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.67
Rot. Bonds3

About 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71622946) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71622946
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1
InChIInChI=1S/C23H17N5O3/c29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29)
InChIKeyQTUSAODLDZOJAR-UHFFFAOYSA-N
XLogP3.67
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-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-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71622946) is 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccncc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QTUSAODLDZOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-18-4-2-12-17(6-8-25-22(12)28-18)30-11-1-3-16-13(9-11)19-20(21(19)31-16)23-26-14-5-7-24-10-15(14)27-23/h1,3,5-10,19-21H,2,4H2,(H,26,27)(H,25,28,29).
What are the key properties of 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 411.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71622946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).