[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

C23H26N6O4 — CID 164798694

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)nn1
InChIInChI=1S/C23H26N6O4/c1-4-32-20-6-5-16(27-28-20)19-11-31-9-12(2)29(19)23(30)17-7-14-15-10-33-13(3)21(15)22(24)26-18(14)8-25-17/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,24,26)/t12-,13-,19-/m1/s1
InChIKeyXOJQUCCIASWJGA-VLXJIEOASA-N
MW450.50 g/mol
LogP2.59
Rot. Bonds4

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (PubChem CID 164798694) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
PubChem CID164798694
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)nn1
InChIInChI=1S/C23H26N6O4/c1-4-32-20-6-5-16(27-28-20)19-11-31-9-12(2)29(19)23(30)17-7-14-15-10-33-13(3)21(15)22(24)26-18(14)8-25-17/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,24,26)/t12-,13-,19-/m1/s1
InChIKeyXOJQUCCIASWJGA-VLXJIEOASA-N
XLogP2.59
TPSA125.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (CID 164798694) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is CCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)nn1.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is XOJQUCCIASWJGA-VLXJIEOASA-N. The full InChI is InChI=1S/C23H26N6O4/c1-4-32-20-6-5-16(27-28-20)19-11-31-9-12(2)29(19)23(30)17-7-14-15-10-33-13(3)21(15)22(24)26-18(14)8-25-17/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,24,26)/t12-,13-,19-/m1/s1.
What are the key properties of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 450.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164798694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).