About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707229) has the molecular formula C25H21ClF3N7O
and a molecular weight of 527.94 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| PubChem CID | 170707229 |
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| Molecular Formula | C25H21ClF3N7O |
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| Molecular Weight | 527.94 g/mol |
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| Exact Mass | 527.14 |
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| IUPAC Name | 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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| SMILES | CC(C)n1ncc(Cl)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1 |
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| InChI | InChI=1S/C25H21ClF3N7O/c1-14(2)36-21(18(26)11-31-36)22-30-10-17-8-9-20(37)35(24(17)33-22)12-15-4-6-16(7-5-15)23-32-19(13-34(23)3)25(27,28)29/h4-11,13-14H,12H2,1-3H3 |
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| InChIKey | PPNRGMNPTHXDFX-UHFFFAOYSA-N |
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| XLogP | 5.36 |
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| TPSA | 83.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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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 | 527.94 |
| LogP ≤ 5 | 5.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170707229) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CC(C)n1ncc(Cl)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PPNRGMNPTHXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N7O/c1-14(2)36-21(18(26)11-31-36)22-30-10-17-8-9-20(37)35(24(17)33-22)12-15-4-6-16(7-5-15)23-32-19(13-34(23)3)25(27,28)29/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 527.94 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).