About 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide (PubChem CID 11225975) has the molecular formula C25H25Cl2N7O
and a molecular weight of 510.43 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide.
Molecular Properties
| Compound Name | 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide |
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| PubChem CID | 11225975 |
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| Molecular Formula | C25H25Cl2N7O |
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| Molecular Weight | 510.43 g/mol |
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| Exact Mass | 509.15 |
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| IUPAC Name | 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide |
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| SMILES | CC(C)NC1(C(N)=O)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1 |
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| InChI | InChI=1S/C25H25Cl2N7O/c1-15(2)31-25(24(28)35)11-12-33(13-25)23-21-20(29-14-30-23)22(16-7-9-17(26)10-8-16)34(32-21)19-6-4-3-5-18(19)27/h3-10,14-15,31H,11-13H2,1-2H3,(H2,28,35) |
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| InChIKey | DVSNXTINZUSSJR-UHFFFAOYSA-N |
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| XLogP | 4.22 |
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| TPSA | 101.96 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.43 |
| LogP ≤ 5 | 4.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide (CID 11225975) is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide is CC(C)NC1(C(N)=O)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide?
The InChIKey is DVSNXTINZUSSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N7O/c1-15(2)31-25(24(28)35)11-12-33(13-25)23-21-20(29-14-30-23)22(16-7-9-17(26)10-8-16)34(32-21)19-6-4-3-5-18(19)27/h3-10,14-15,31H,11-13H2,1-2H3,(H2,28,35).
What are the key properties of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide?
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide has a molecular weight of 510.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(propan-2-ylamino)pyrrolidine-3-carboxamide is sourced from PubChem (CID 11225975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).