About N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (PubChem CID 142278880) has the molecular formula C25H32FN9O
and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.
Molecular Properties
| Compound Name | N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine |
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| PubChem CID | 142278880 |
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| Molecular Formula | C25H32FN9O |
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| Molecular Weight | 493.59 g/mol |
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| Exact Mass | 493.27 |
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| IUPAC Name | N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine |
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| SMILES | CCCC(CC)c1cc(C)nc(Nc2cc(C)[nH]n2)n1.O=CNCc1ccc(-n2cc(F)cn2)nc1 |
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| InChI | InChI=1S/C15H23N5.C10H9FN4O/c1-5-7-12(6-2)13-8-10(3)16-15(17-13)18-14-9-11(4)19-20-14;11-9-5-14-15(6-9)10-2-1-8(4-13-10)3-12-7-16/h8-9,12H,5-7H2,1-4H3,(H2,16,17,18,19,20);1-2,4-7H,3H2,(H,12,16) |
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| InChIKey | QGEKMOCIJOXTJN-UHFFFAOYSA-N |
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| XLogP | 4.51 |
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| TPSA | 126.30 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 36 |
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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 | 493.59 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Analyze N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (CID 142278880) is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is CCCC(CC)c1cc(C)nc(Nc2cc(C)[nH]n2)n1.O=CNCc1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is QGEKMOCIJOXTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.C10H9FN4O/c1-5-7-12(6-2)13-8-10(3)16-15(17-13)18-14-9-11(4)19-20-14;11-9-5-14-15(6-9)10-2-1-8(4-13-10)3-12-7-16/h8-9,12H,5-7H2,1-4H3,(H2,16,17,18,19,20);1-2,4-7H,3H2,(H,12,16).
What are the key properties of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?
N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 493.59 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]formamide;4-hexan-3-yl-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 142278880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).