About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10208724) has the molecular formula C30H35FN6S
and a molecular weight of 530.72 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
Molecular Properties
| Compound Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine |
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| PubChem CID | 10208724 |
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| Molecular Formula | C30H35FN6S |
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| Molecular Weight | 530.72 g/mol |
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| Exact Mass | 530.26 |
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| IUPAC Name | N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine |
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| SMILES | CC(C)Sc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12 |
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| InChI | InChI=1S/C30H35FN6S/c1-19(2)38-27-18-24(33-22-7-3-4-8-22)17-26-28(29(36-37(26)27)20-11-13-21(31)14-12-20)25-15-16-32-30(35-25)34-23-9-5-6-10-23/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35) |
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| InChIKey | RYKRWMFYUZRWPQ-UHFFFAOYSA-N |
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| XLogP | 7.81 |
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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 | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 530.72 |
| LogP ≤ 5 | 7.81 |
| 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]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (CID 10208724) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is CC(C)Sc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is RYKRWMFYUZRWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6S/c1-19(2)38-27-18-24(33-22-7-3-4-8-22)17-26-28(29(36-37(26)27)20-11-13-21(31)14-12-20)25-15-16-32-30(35-25)34-23-9-5-6-10-23/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 530.72 g/mol, XLogP of 7.81, 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]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10208724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).