7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

C22H16F3N5O4 — CID 70664293

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1nc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C22H16F3N5O4/c1-10-17(11(2)34-29-10)12-8-13-18(28-20(12)32-3)19-14(9-26-13)27-21(31)30(19)15-6-4-5-7-16(15)33-22(23,24)25/h4-9H,1-3H3,(H,27,31)
InChIKeyRNXZKJNNYCWPJH-UHFFFAOYSA-N
MW471.40 g/mol
LogP4.44
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 70664293) has the molecular formula C22H16F3N5O4 and a molecular weight of 471.40 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID70664293
Molecular FormulaC22H16F3N5O4
Molecular Weight471.40 g/mol
Exact Mass471.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1nc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C22H16F3N5O4/c1-10-17(11(2)34-29-10)12-8-13-18(28-20(12)32-3)19-14(9-26-13)27-21(31)30(19)15-6-4-5-7-16(15)33-22(23,24)25/h4-9H,1-3H3,(H,27,31)
InChIKeyRNXZKJNNYCWPJH-UHFFFAOYSA-N
XLogP4.44
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (CID 70664293) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is COc1nc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is RNXZKJNNYCWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O4/c1-10-17(11(2)34-29-10)12-8-13-18(28-20(12)32-3)19-14(9-26-13)27-21(31)30(19)15-6-4-5-7-16(15)33-22(23,24)25/h4-9H,1-3H3,(H,27,31).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 471.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 70664293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).