About N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine
N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine (PubChem CID 118869337) has the molecular formula C28H31FN6O2
and a molecular weight of 502.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine.
Molecular Properties
| Compound Name | N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine |
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| PubChem CID | 118869337 |
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| Molecular Formula | C28H31FN6O2 |
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| Molecular Weight | 502.59 g/mol |
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| Exact Mass | 502.25 |
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| IUPAC Name | N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine |
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| SMILES | C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |
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| InChI | InChI=1S/C28H31FN6O2/c1-19-18-36-16-14-34(19)25-17-24(33(2)21-8-6-20(29)7-9-21)22-10-12-30-28(27(22)32-25)23-11-13-31-35(23)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1 |
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| InChIKey | MBTTYMUOMSOGHY-ICCFGIFFSA-N |
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| XLogP | 5.32 |
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| TPSA | 68.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 502.59 |
| LogP ≤ 5 | 5.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine (CID 118869337) is N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine is C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine?
The InChIKey is MBTTYMUOMSOGHY-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H31FN6O2/c1-19-18-36-16-14-34(19)25-17-24(33(2)21-8-6-20(29)7-9-21)22-10-12-30-28(27(22)32-25)23-11-13-31-35(23)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine?
N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine has a molecular weight of 502.59 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-amine is sourced from PubChem (CID 118869337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).