About 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 162659852) has the molecular formula C22H23N9
and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
Molecular Properties
| Compound Name | 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile |
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| PubChem CID | 162659852 |
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| Molecular Formula | C22H23N9 |
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| Molecular Weight | 413.49 g/mol |
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| Exact Mass | 413.21 |
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| IUPAC Name | 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile |
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| SMILES | Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CC5CC5)C4)c3)n2)cn1 |
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| InChI | InChI=1S/C22H23N9/c1-28-11-17(8-25-28)19-13-30-20(4-7-24-30)21(27-19)18-9-26-31(12-18)22(5-6-23)14-29(15-22)10-16-2-3-16/h4,7-9,11-13,16H,2-3,5,10,14-15H2,1H3 |
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| InChIKey | QFBYABPLOBJITK-UHFFFAOYSA-N |
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| XLogP | 2.33 |
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| TPSA | 92.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 413.49 |
| LogP ≤ 5 | 2.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 162659852) is 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CN(CC5CC5)C4)c3)n2)cn1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is QFBYABPLOBJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9/c1-28-11-17(8-25-28)19-13-30-20(4-7-24-30)21(27-19)18-9-26-31(12-18)22(5-6-23)14-29(15-22)10-16-2-3-16/h4,7-9,11-13,16H,2-3,5,10,14-15H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 413.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 162659852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).