About 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328633) has the molecular formula C27H29N9O2
and a molecular weight of 511.59 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide |
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| PubChem CID | 53328633 |
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| Molecular Formula | C27H29N9O2 |
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| Molecular Weight | 511.59 g/mol |
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| Exact Mass | 511.24 |
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| IUPAC Name | 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide |
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| SMILES | O=C(Nc1cc(-c2ccccn2)nn1CCN1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1 |
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| InChI | InChI=1S/C27H29N9O2/c37-27(26-23(31-20-16-28-18-29-17-20)7-6-21(32-26)19-4-5-19)33-25-15-24(22-3-1-2-8-30-22)34-36(25)10-9-35-11-13-38-14-12-35/h1-3,6-8,15-19,31H,4-5,9-14H2,(H,33,37) |
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| InChIKey | JYXIPSWIZIJSOB-UHFFFAOYSA-N |
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| XLogP | 3.34 |
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| TPSA | 122.98 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 511.59 |
| LogP ≤ 5 | 3.34 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328633) is 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccn2)nn1CCN1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is JYXIPSWIZIJSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O2/c37-27(26-23(31-20-16-28-18-29-17-20)7-6-21(32-26)19-4-5-19)33-25-15-24(22-3-1-2-8-30-22)34-36(25)10-9-35-11-13-38-14-12-35/h1-3,6-8,15-19,31H,4-5,9-14H2,(H,33,37).
What are the key properties of 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).