3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C20H20N6O2 — CID 134446582

IUPAC3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)nccc23)on1
InChIInChI=1S/C20H20N6O2/c1-12-9-17(28-25-12)15-10-18(26-7-8-27-11-13(26)2)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyISJIRABUEDACFO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 134446582) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID134446582
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)nccc23)on1
InChIInChI=1S/C20H20N6O2/c1-12-9-17(28-25-12)15-10-18(26-7-8-27-11-13(26)2)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyISJIRABUEDACFO-UHFFFAOYSA-N
XLogP3.21
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 134446582) is 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cc(-c2cc(N3CCOCC3C)nc3c(-c4ccn[nH]4)nccc23)on1.
What is the InChIKey of 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is ISJIRABUEDACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-9-17(28-25-12)15-10-18(26-7-8-27-11-13(26)2)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 376.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 134446582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).