About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10164702) has the molecular formula C29H34N6OS
and a molecular weight of 514.70 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
Molecular Properties
| Compound Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine |
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| PubChem CID | 10164702 |
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| Molecular Formula | C29H34N6OS |
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| Molecular Weight | 514.70 g/mol |
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| Exact Mass | 514.25 |
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| IUPAC Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine |
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| SMILES | COc1ccc(-c2nn3c(SC)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 |
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| InChI | InChI=1S/C29H34N6OS/c1-36-23-13-11-19(12-14-23)28-27(24-15-16-30-29(33-24)32-21-9-5-6-10-21)25-17-22(31-20-7-3-4-8-20)18-26(37-2)35(25)34-28/h11-18,20-21,31H,3-10H2,1-2H3,(H,30,32,33) |
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| InChIKey | LPGJSRBABAPYJC-UHFFFAOYSA-N |
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| XLogP | 6.90 |
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| TPSA | 76.37 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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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 | 514.70 |
| LogP ≤ 5 | 6.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine (CID 10164702) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine is COc1ccc(-c2nn3c(SC)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is LPGJSRBABAPYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6OS/c1-36-23-13-11-19(12-14-23)28-27(24-15-16-30-29(33-24)32-21-9-5-6-10-21)25-17-22(31-20-7-3-4-8-20)18-26(37-2)35(25)34-28/h11-18,20-21,31H,3-10H2,1-2H3,(H,30,32,33).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 514.70 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10164702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).