About N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53231261) has the molecular formula C31H23N9O2
and a molecular weight of 553.59 g/mol. Its IUPAC name is N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| PubChem CID | 53231261 |
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| Molecular Formula | C31H23N9O2 |
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| Molecular Weight | 553.59 g/mol |
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| Exact Mass | 553.20 |
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| IUPAC Name | N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| SMILES | Cc1cccc(-c2ccnc3c(C(=O)Nc4nn(-c5ccccc5)nc4C(=O)c4cn(C)c5ccccc45)cnn23)n1 |
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| InChI | InChI=1S/C31H23N9O2/c1-19-9-8-13-24(34-19)26-15-16-32-30-22(17-33-39(26)30)31(42)35-29-27(36-40(37-29)20-10-4-3-5-11-20)28(41)23-18-38(2)25-14-7-6-12-21(23)25/h3-18H,1-2H3,(H,35,37,42) |
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| InChIKey | NNYBQZXOLDIZQT-UHFFFAOYSA-N |
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| XLogP | 4.66 |
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| TPSA | 124.89 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 553.59 |
| LogP ≤ 5 | 4.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53231261) is N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(-c2ccnc3c(C(=O)Nc4nn(-c5ccccc5)nc4C(=O)c4cn(C)c5ccccc45)cnn23)n1.
What is the InChIKey of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NNYBQZXOLDIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N9O2/c1-19-9-8-13-24(34-19)26-15-16-32-30-22(17-33-39(26)30)31(42)35-29-27(36-40(37-29)20-10-4-3-5-11-20)28(41)23-18-38(2)25-14-7-6-12-21(23)25/h3-18H,1-2H3,(H,35,37,42).
What are the key properties of N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 553.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53231261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).