About N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide
N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 135334967) has the molecular formula C25H34ClN5O4S
and a molecular weight of 536.10 g/mol. Its IUPAC name is N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide |
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| PubChem CID | 135334967 |
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| Molecular Formula | C25H34ClN5O4S |
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| Molecular Weight | 536.10 g/mol |
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| Exact Mass | 535.20 |
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| IUPAC Name | N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide |
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| SMILES | COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)cc3n2)cc1Cl |
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| InChI | InChI=1S/C25H34ClN5O4S/c1-29(2)9-5-13-35-23-16-24(34-3)21(26)15-20(23)22-17-31-12-8-19(14-25(31)27-22)30-10-6-18(7-11-30)28-36(4,32)33/h8,12,14-18,28H,5-7,9-11,13H2,1-4H3 |
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| InChIKey | ZJIRAEJSAZZEQC-UHFFFAOYSA-N |
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| XLogP | 3.51 |
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| TPSA | 88.41 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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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 | 536.10 |
| LogP ≤ 5 | 3.51 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide (CID 135334967) is N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide is COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is ZJIRAEJSAZZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O4S/c1-29(2)9-5-13-35-23-16-24(34-3)21(26)15-20(23)22-17-31-12-8-19(14-25(31)27-22)30-10-6-18(7-11-30)28-36(4,32)33/h8,12,14-18,28H,5-7,9-11,13H2,1-4H3.
What are the key properties of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 536.10 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 135334967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).