About (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130228977) has the molecular formula C23H24N6O2
and a molecular weight of 416.49 g/mol. Its IUPAC name is (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
Molecular Properties
| Compound Name | (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine |
| PubChem CID | 130228977 |
| Molecular Formula | C23H24N6O2 |
| Molecular Weight | 416.49 g/mol |
| Exact Mass | 416.20 |
| IUPAC Name | (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine |
| SMILES | COc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)cn1 |
| InChI | InChI=1S/C23H24N6O2/c1-14-11-25-22(18-6-7-26-28-18)23-21(14)17(16-4-5-20(30-3)24-12-16)10-19(27-23)29-8-9-31-13-15(29)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1 |
| InChIKey | DPFYJOWCUIVMQN-OAHLLOKOSA-N |
| XLogP | 3.62 |
| TPSA | 89.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 31 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 416.49 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130228977) is (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)cn1.
What is the InChIKey of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is DPFYJOWCUIVMQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-11-25-22(18-6-7-26-28-18)23-21(14)17(16-4-5-20(30-3)24-12-16)10-19(27-23)29-8-9-31-13-15(29)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,26,28)/t15-/m1/s1.
What are the key properties of (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 416.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).