About N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961822) has the molecular formula C23H24FN11O
and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide |
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| PubChem CID | 138961822 |
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| Molecular Formula | C23H24FN11O |
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| Molecular Weight | 489.52 g/mol |
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| Exact Mass | 489.21 |
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| IUPAC Name | N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide |
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| SMILES | Cc1cc(NC2CC(C)NN2)nc(-c2ccc(C(=O)NCc3cnc(-n4cc(F)cn4)cn3)nc2)n1 |
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| InChI | InChI=1S/C23H24FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-5,7-9,11-12,14,20,33-34H,6,10H2,1-2H3,(H,28,36)(H,30,31,32) |
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| InChIKey | LETLNZIQAVQNPO-UHFFFAOYSA-N |
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| XLogP | 1.52 |
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| TPSA | 147.46 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 489.52 |
| LogP ≤ 5 | 1.52 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961822) is N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(NC2CC(C)NN2)nc(-c2ccc(C(=O)NCc3cnc(-n4cc(F)cn4)cn3)nc2)n1.
What is the InChIKey of N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is LETLNZIQAVQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN11O/c1-13-5-19(31-20-6-14(2)33-34-20)32-22(30-13)15-3-4-18(26-7-15)23(36)28-10-17-9-27-21(11-25-17)35-12-16(24)8-29-35/h3-5,7-9,11-12,14,20,33-34H,6,10H2,1-2H3,(H,28,36)(H,30,31,32).
What are the key properties of N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138961822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).