About 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71556934) has the molecular formula C30H34ClN7O
and a molecular weight of 544.10 g/mol. Its IUPAC name is 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one |
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| PubChem CID | 71556934 |
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| Molecular Formula | C30H34ClN7O |
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| Molecular Weight | 544.10 g/mol |
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| Exact Mass | 543.25 |
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| IUPAC Name | 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one |
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| SMILES | Cc1cncc(-c2ccc(-c3cc4cnc(NC5CCCCC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1 |
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| InChI | InChI=1S/C30H34ClN7O/c1-18-15-33-17-27(35-18)19-7-12-24(26(31)14-19)25-13-20-16-34-30(36-22-5-3-2-4-6-22)37-28(20)38(29(25)39)23-10-8-21(32)9-11-23/h7,12-17,21-23H,2-6,8-11,32H2,1H3,(H,34,36,37) |
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| InChIKey | QQWPFKRDLUDGAB-UHFFFAOYSA-N |
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| XLogP | 6.06 |
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| TPSA | 111.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 544.10 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (CID 71556934) is 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1cncc(-c2ccc(-c3cc4cnc(NC5CCCCC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.
What is the InChIKey of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QQWPFKRDLUDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN7O/c1-18-15-33-17-27(35-18)19-7-12-24(26(31)14-19)25-13-20-16-34-30(36-22-5-3-2-4-6-22)37-28(20)38(29(25)39)23-10-8-21(32)9-11-23/h7,12-17,21-23H,2-6,8-11,32H2,1H3,(H,34,36,37).
What are the key properties of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 544.10 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71556934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).