About [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol
[3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol (PubChem CID 146235147) has the molecular formula C29H30ClFN4O
and a molecular weight of 505.04 g/mol. Its IUPAC name is [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol.
Molecular Properties
| Compound Name | [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol |
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| PubChem CID | 146235147 |
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| Molecular Formula | C29H30ClFN4O |
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| Molecular Weight | 505.04 g/mol |
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| Exact Mass | 504.21 |
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| IUPAC Name | [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol |
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| SMILES | CC(C)c1ccccc1-c1c(CO)nc(N2CCNCC2C)c2cc(Cl)c(-c3ccccc3F)nc12 |
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| InChI | InChI=1S/C29H30ClFN4O/c1-17(2)19-8-4-5-9-20(19)26-25(16-36)33-29(35-13-12-32-15-18(35)3)22-14-23(30)27(34-28(22)26)21-10-6-7-11-24(21)31/h4-11,14,17-18,32,36H,12-13,15-16H2,1-3H3 |
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| InChIKey | FNTHKFAHFHYUJB-UHFFFAOYSA-N |
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| XLogP | 6.17 |
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| TPSA | 61.28 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 505.04 |
| LogP ≤ 5 | 6.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The IUPAC name of [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol (CID 146235147) is [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol.
What is the SMILES notation for [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The canonical SMILES for [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol is CC(C)c1ccccc1-c1c(CO)nc(N2CCNCC2C)c2cc(Cl)c(-c3ccccc3F)nc12.
What is the InChIKey of [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
The InChIKey is FNTHKFAHFHYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4O/c1-17(2)19-8-4-5-9-20(19)26-25(16-36)33-29(35-13-12-32-15-18(35)3)22-14-23(30)27(34-28(22)26)21-10-6-7-11-24(21)31/h4-11,14,17-18,32,36H,12-13,15-16H2,1-3H3.
What are the key properties of [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol?
[3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol has a molecular weight of 505.04 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-fluorophenyl)-5-(2-methylpiperazin-1-yl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-7-yl]methanol is sourced from PubChem (CID 146235147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).