About [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol
[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol (PubChem CID 86724573) has the molecular formula C25H24Cl2FN5O
and a molecular weight of 500.41 g/mol. Its IUPAC name is [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol.
Molecular Properties
| Compound Name | [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol |
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| PubChem CID | 86724573 |
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| Molecular Formula | C25H24Cl2FN5O |
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| Molecular Weight | 500.41 g/mol |
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| Exact Mass | 499.13 |
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| IUPAC Name | [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol |
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| SMILES | CC1CCC(Cn2c(C(O)c3ncccc3F)nc3cc(Cl)nc(-c4cncc(Cl)c4)c32)CC1 |
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| InChI | InChI=1S/C25H24Cl2FN5O/c1-14-4-6-15(7-5-14)13-33-23-19(31-25(33)24(34)22-18(28)3-2-8-30-22)10-20(27)32-21(23)16-9-17(26)12-29-11-16/h2-3,8-12,14-15,24,34H,4-7,13H2,1H3 |
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| InChIKey | RCIGNDWRHQPKMN-UHFFFAOYSA-N |
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| XLogP | 6.24 |
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| TPSA | 76.72 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 500.41 |
| LogP ≤ 5 | 6.24 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol?
The IUPAC name of [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol (CID 86724573) is [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol is CC1CCC(Cn2c(C(O)c3ncccc3F)nc3cc(Cl)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol?
The InChIKey is RCIGNDWRHQPKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN5O/c1-14-4-6-15(7-5-14)13-33-23-19(31-25(33)24(34)22-18(28)3-2-8-30-22)10-20(27)32-21(23)16-9-17(26)12-29-11-16/h2-3,8-12,14-15,24,34H,4-7,13H2,1H3.
What are the key properties of [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol?
[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol has a molecular weight of 500.41 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-(3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 86724573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).