(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C48H48N10O4 — CID 146216067

IUPAC(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(c3)OCCO4)c12.Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccccc3)c12
InChIInChI=1S/C25H25N5O3.C23H23N5O/c1-15-13-26-24(19-5-6-27-29-19)25-23(15)18(12-22(28-25)30-7-8-31-14-16(30)2)17-3-4-20-21(11-17)33-10-9-32-20;1-15-13-24-22(19-8-9-25-27-19)23-21(15)18(17-6-4-3-5-7-17)12-20(26-23)28-10-11-29-14-16(28)2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,29);3-9,12-13,16H,10-11,14H2,1-2H3,(H,25,27)/t2*16-/m11/s1
InChIKeyLTDONKRWRKBVSS-RWVWGXEFSA-N
MW828.98 g/mol
LogP8.21
Rot. Bonds6

About (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 146216067) has the molecular formula C48H48N10O4 and a molecular weight of 828.98 g/mol. Its IUPAC name is (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID146216067
Molecular FormulaC48H48N10O4
Molecular Weight828.98 g/mol
Exact Mass828.39
IUPAC Name(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(c3)OCCO4)c12.Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccccc3)c12
InChIInChI=1S/C25H25N5O3.C23H23N5O/c1-15-13-26-24(19-5-6-27-29-19)25-23(15)18(12-22(28-25)30-7-8-31-14-16(30)2)17-3-4-20-21(11-17)33-10-9-32-20;1-15-13-24-22(19-8-9-25-27-19)23-21(15)18(17-6-4-3-5-7-17)12-20(26-23)28-10-11-29-14-16(28)2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,29);3-9,12-13,16H,10-11,14H2,1-2H3,(H,25,27)/t2*16-/m11/s1
InChIKeyLTDONKRWRKBVSS-RWVWGXEFSA-N
XLogP8.21
TPSA152.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 146216067) is (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4c(c3)OCCO4)c12.Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccccc3)c12.
What is the InChIKey of (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is LTDONKRWRKBVSS-RWVWGXEFSA-N. The full InChI is InChI=1S/C25H25N5O3.C23H23N5O/c1-15-13-26-24(19-5-6-27-29-19)25-23(15)18(12-22(28-25)30-7-8-31-14-16(30)2)17-3-4-20-21(11-17)33-10-9-32-20;1-15-13-24-22(19-8-9-25-27-19)23-21(15)18(17-6-4-3-5-7-17)12-20(26-23)28-10-11-29-14-16(28)2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,27,29);3-9,12-13,16H,10-11,14H2,1-2H3,(H,25,27)/t2*16-/m11/s1.
What are the key properties of (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 828.98 g/mol, XLogP of 8.21, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;(3R)-3-methyl-4-[5-methyl-4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 146216067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).