About 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane
2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane (PubChem CID 165131350) has the molecular formula C28H29ClN6O
and a molecular weight of 501.03 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane.
Molecular Properties
| Compound Name | 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane |
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| PubChem CID | 165131350 |
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| Molecular Formula | C28H29ClN6O |
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| Molecular Weight | 501.03 g/mol |
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| Exact Mass | 500.21 |
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| IUPAC Name | 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane |
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| SMILES | CC.O=C(Cn1ccc2ccc(Cl)cc21)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1 |
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| InChI | InChI=1S/C26H23ClN6O.C2H6/c27-20-5-3-18-8-10-32(23(18)11-20)16-26(34)31-24-12-21(7-9-28-24)29-13-22-15-33-14-19(17-1-2-17)4-6-25(33)30-22;1-2/h3-12,14-15,17H,1-2,13,16H2,(H2,28,29,31,34);1-2H3 |
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| InChIKey | URVGVWFUFMKZDL-UHFFFAOYSA-N |
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| XLogP | 6.49 |
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| TPSA | 76.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 501.03 |
| LogP ≤ 5 | 6.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane (CID 165131350) is 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane is CC.O=C(Cn1ccc2ccc(Cl)cc21)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?
The InChIKey is URVGVWFUFMKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C2H6/c27-20-5-3-18-8-10-32(23(18)11-20)16-26(34)31-24-12-21(7-9-28-24)29-13-22-15-33-14-19(17-1-2-17)4-6-25(33)30-22;1-2/h3-12,14-15,17H,1-2,13,16H2,(H2,28,29,31,34);1-2H3.
What are the key properties of 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane?
2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane has a molecular weight of 501.03 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane is sourced from PubChem (CID 165131350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).