[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone

C25H28N4O4 — CID 156864908

IUPAC[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
SMILESCc1ccc(-c2noc(C)c2COc2cc3c(cn2)CN(C(=O)C2CCOCC2)CC3)cn1
InChIInChI=1S/C25H28N4O4/c1-16-3-4-20(12-26-16)24-22(17(2)33-28-24)15-32-23-11-19-5-8-29(14-21(19)13-27-23)25(30)18-6-9-31-10-7-18/h3-4,11-13,18H,5-10,14-15H2,1-2H3
InChIKeyRINCAUCNIKPMIA-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.64
Rot. Bonds5

About [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone

[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone (PubChem CID 156864908) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
PubChem CID156864908
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
SMILESCc1ccc(-c2noc(C)c2COc2cc3c(cn2)CN(C(=O)C2CCOCC2)CC3)cn1
InChIInChI=1S/C25H28N4O4/c1-16-3-4-20(12-26-16)24-22(17(2)33-28-24)15-32-23-11-19-5-8-29(14-21(19)13-27-23)25(30)18-6-9-31-10-7-18/h3-4,11-13,18H,5-10,14-15H2,1-2H3
InChIKeyRINCAUCNIKPMIA-UHFFFAOYSA-N
XLogP3.64
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone (CID 156864908) is [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone is Cc1ccc(-c2noc(C)c2COc2cc3c(cn2)CN(C(=O)C2CCOCC2)CC3)cn1.
What is the InChIKey of [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
The InChIKey is RINCAUCNIKPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-3-4-20(12-26-16)24-22(17(2)33-28-24)15-32-23-11-19-5-8-29(14-21(19)13-27-23)25(30)18-6-9-31-10-7-18/h3-4,11-13,18H,5-10,14-15H2,1-2H3.
What are the key properties of [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone?
[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone has a molecular weight of 448.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 156864908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).