About (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone
(3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone (PubChem CID 25144113) has the molecular formula C34H28N6O
and a molecular weight of 536.64 g/mol. Its IUPAC name is (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone.
Molecular Properties
| Compound Name | (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone |
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| PubChem CID | 25144113 |
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| Molecular Formula | C34H28N6O |
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| Molecular Weight | 536.64 g/mol |
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| Exact Mass | 536.23 |
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| IUPAC Name | (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone |
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| SMILES | O=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CCC(c2ccccn2)C1 |
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| InChI | InChI=1S/C34H28N6O/c41-32(39-17-12-26(21-39)29-5-1-2-15-35-29)24-8-6-23(7-9-24)27-19-37-33-38-20-31(40(33)22-27)34(13-14-34)28-10-11-30-25(18-28)4-3-16-36-30/h1-11,15-16,18-20,22,26H,12-14,17,21H2 |
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| InChIKey | YXAWEFYEADMHGM-UHFFFAOYSA-N |
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| XLogP | 6.05 |
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| TPSA | 76.28 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 536.64 |
| LogP ≤ 5 | 6.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The IUPAC name of (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone (CID 25144113) is (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone.
What is the SMILES notation for (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The canonical SMILES for (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone is O=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CCC(c2ccccn2)C1.
What is the InChIKey of (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The InChIKey is YXAWEFYEADMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6O/c41-32(39-17-12-26(21-39)29-5-1-2-15-35-29)24-8-6-23(7-9-24)27-19-37-33-38-20-31(40(33)22-27)34(13-14-34)28-10-11-30-25(18-28)4-3-16-36-30/h1-11,15-16,18-20,22,26H,12-14,17,21H2.
What are the key properties of (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
(3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone has a molecular weight of 536.64 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-ylpyrrolidin-1-yl)-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone is sourced from PubChem (CID 25144113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).