3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C24H27N7O4 — CID 156518488

IUPAC3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CCN(C1CCOCC1)C2
InChIInChI=1S/C24H27N7O4/c1-15-11-20(29-35-15)23-27-26-22-12-21(32-2)24(28-31(22)23)34-14-17-4-3-16-13-30(8-5-19(16)25-17)18-6-9-33-10-7-18/h3-4,11-12,18H,5-10,13-14H2,1-2H3
InChIKeyRTIVTJLGAQUJTO-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.61
Rot. Bonds6

About 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 156518488) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID156518488
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CCN(C1CCOCC1)C2
InChIInChI=1S/C24H27N7O4/c1-15-11-20(29-35-15)23-27-26-22-12-21(32-2)24(28-31(22)23)34-14-17-4-3-16-13-30(8-5-19(16)25-17)18-6-9-33-10-7-18/h3-4,11-12,18H,5-10,13-14H2,1-2H3
InChIKeyRTIVTJLGAQUJTO-UHFFFAOYSA-N
XLogP2.61
TPSA112.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 156518488) is 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(n1)CCN(C1CCOCC1)C2.
What is the InChIKey of 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is RTIVTJLGAQUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-15-11-20(29-35-15)23-27-26-22-12-21(32-2)24(28-31(22)23)34-14-17-4-3-16-13-30(8-5-19(16)25-17)18-6-9-33-10-7-18/h3-4,11-12,18H,5-10,13-14H2,1-2H3.
What are the key properties of 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 477.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156518488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).