About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10142592) has the molecular formula C29H33FN6S
and a molecular weight of 516.69 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine.
Molecular Properties
| Compound Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine |
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| PubChem CID | 10142592 |
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| Molecular Formula | C29H33FN6S |
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| Molecular Weight | 516.69 g/mol |
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| Exact Mass | 516.25 |
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| IUPAC Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine |
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| SMILES | CCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12 |
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| InChI | InChI=1S/C29H33FN6S/c1-2-37-26-18-23(32-21-7-3-4-8-21)17-25-27(28(35-36(25)26)19-11-13-20(30)14-12-19)24-15-16-31-29(34-24)33-22-9-5-6-10-22/h11-18,21-22,32H,2-10H2,1H3,(H,31,33,34) |
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| InChIKey | JVEIELHGIPHJFL-UHFFFAOYSA-N |
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| XLogP | 7.42 |
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| TPSA | 67.14 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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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 | 516.69 |
| LogP ≤ 5 | 7.42 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine (CID 10142592) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine is CCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is JVEIELHGIPHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6S/c1-2-37-26-18-23(32-21-7-3-4-8-21)17-25-27(28(35-36(25)26)19-11-13-20(30)14-12-19)24-15-16-31-29(34-24)33-22-9-5-6-10-22/h11-18,21-22,32H,2-10H2,1H3,(H,31,33,34).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 516.69 g/mol, XLogP of 7.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10142592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).